[1–9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate

The title compound, C57H85N9O9·2C2H3N [systematic name: cyclo-(prolyl-prolyl-phenylalanyl-phenylalanyl-leucyl-isoleucyl-isoleucylleucyl-valyl) acetonitrile disolvate; synonym: cyclolinopeptide acetonitrile disolvate], is a polypeptide with nine amino acids, viz. NαC-(Pro1–Pro2–Phe3–Phe4–Leu5–Ile6–Il...
Ausführliche Beschreibung

Gespeichert in:

Autor*in:	Jackson Mulenga Chitanda [verfasserIn] Jianfeng Zhu [verfasserIn] Philip Mausberg [verfasserIn] Peta-Gaye Gillian Burnett [verfasserIn] Martin J. T. Reaney [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2016

Schlagwörter:	crystal structure cyclic peptide orbitides cyclolinopeptide A [1–9-NαC]-linusorb B3 acetonitrile hydrogen bonding

Übergeordnetes Werk:	In: IUCrData - International Union of Crystallography, 2016, 1(2016), 11, p x161706
Übergeordnetes Werk:	volume:1 ; year:2016 ; number:11, p x161706

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.1107/S2414314616017065

Katalog-ID:	DOAJ010948635

Internformat


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100	0		\|a Jackson Mulenga Chitanda \|e verfasserin \|4 aut
245	1	0	\|a [1–9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate
264		1	\|c 2016
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520			\|a The title compound, C57H85N9O9·2C2H3N [systematic name: cyclo-(prolyl-prolyl-phenylalanyl-phenylalanyl-leucyl-isoleucyl-isoleucylleucyl-valyl) acetonitrile disolvate; synonym: cyclolinopeptide acetonitrile disolvate], is a polypeptide with nine amino acids, viz. NαC-(Pro1–Pro2–Phe3–Phe4–Leu5–Ile6–Ile7–Leu8–Val9). It was extracted from flaxseed oil and crystallized from acetonitrile as a disolvate. In the title molecule, there are four intramolecular N—H...O hydrogen bonds. One of the two acetonitrile molecules is hydrogen bonded to Phe3 via an N—H...N hydrogen bond, while the second acetonitrile molecule is located at the other side of the peptide ring and is linked to the title molecule by a C—H...N hydrogen bond. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along the a-axis direction. The chains are linked by C—H...O hydrogen bonds, forming undulating layers parallel to the ac plane.
650		4	\|a crystal structure
650		4	\|a cyclic peptide
650		4	\|a orbitides
650		4	\|a cyclolinopeptide A
650		4	\|a [1–9-NαC]-linusorb B3
650		4	\|a acetonitrile
650		4	\|a hydrogen bonding
653		0	\|a Crystallography
700	0		\|a Jianfeng Zhu \|e verfasserin \|4 aut
700	0		\|a Philip Mausberg \|e verfasserin \|4 aut
700	0		\|a Peta-Gaye Gillian Burnett \|e verfasserin \|4 aut
700	0		\|a Martin J. T. Reaney \|e verfasserin \|4 aut
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912			\|a GBV_USEFLAG_A
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912			\|a SSG-OLC-PHA
912			\|a GBV_ILN_20
912			\|a GBV_ILN_22
912			\|a GBV_ILN_23
912			\|a GBV_ILN_24
912			\|a GBV_ILN_39
912			\|a GBV_ILN_40
912			\|a GBV_ILN_60
912			\|a GBV_ILN_62
912			\|a GBV_ILN_63
912			\|a GBV_ILN_65
912			\|a GBV_ILN_69
912			\|a GBV_ILN_70
912			\|a GBV_ILN_73
912			\|a GBV_ILN_95
912			\|a GBV_ILN_105
912			\|a GBV_ILN_110
912			\|a GBV_ILN_151
912			\|a GBV_ILN_161
912			\|a GBV_ILN_170
912			\|a GBV_ILN_213
912			\|a GBV_ILN_230
912			\|a GBV_ILN_285
912			\|a GBV_ILN_293
912			\|a GBV_ILN_370
912			\|a GBV_ILN_602
912			\|a GBV_ILN_2014
912			\|a GBV_ILN_4012
912			\|a GBV_ILN_4037
912			\|a GBV_ILN_4112
912			\|a GBV_ILN_4125
912			\|a GBV_ILN_4126
912			\|a GBV_ILN_4249
912			\|a GBV_ILN_4305
912			\|a GBV_ILN_4306
912			\|a GBV_ILN_4307
912			\|a GBV_ILN_4313
912			\|a GBV_ILN_4322
912			\|a GBV_ILN_4323
912			\|a GBV_ILN_4324
912			\|a GBV_ILN_4325
912			\|a GBV_ILN_4335
912			\|a GBV_ILN_4338
912			\|a GBV_ILN_4367
912			\|a GBV_ILN_4700
951			\|a AR
952			\|d 1 \|j 2016 \|e 11, p x161706

Indexfelder

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matchkey_str	article:24143146:2016----::9ciuob3yllnppieaeoi
hierarchy_sort_str	2016
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publishDate	2016
allfields	10.1107/S2414314616017065 doi (DE-627)DOAJ010948635 (DE-599)DOAJb9a1b8b6c5f241f7b5e0d9ef01ca627c DE-627 ger DE-627 rakwb eng QD901-999 Jackson Mulenga Chitanda verfasserin aut [1–9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate 2016 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The title compound, C57H85N9O9·2C2H3N [systematic name: cyclo-(prolyl-prolyl-phenylalanyl-phenylalanyl-leucyl-isoleucyl-isoleucylleucyl-valyl) acetonitrile disolvate; synonym: cyclolinopeptide acetonitrile disolvate], is a polypeptide with nine amino acids, viz. NαC-(Pro1–Pro2–Phe3–Phe4–Leu5–Ile6–Ile7–Leu8–Val9). It was extracted from flaxseed oil and crystallized from acetonitrile as a disolvate. In the title molecule, there are four intramolecular N—H...O hydrogen bonds. One of the two acetonitrile molecules is hydrogen bonded to Phe3 via an N—H...N hydrogen bond, while the second acetonitrile molecule is located at the other side of the peptide ring and is linked to the title molecule by a C—H...N hydrogen bond. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along the a-axis direction. The chains are linked by C—H...O hydrogen bonds, forming undulating layers parallel to the ac plane. crystal structure cyclic peptide orbitides cyclolinopeptide A [1–9-NαC]-linusorb B3 acetonitrile hydrogen bonding Crystallography Jianfeng Zhu verfasserin aut Philip Mausberg verfasserin aut Peta-Gaye Gillian Burnett verfasserin aut Martin J. T. Reaney verfasserin aut In IUCrData International Union of Crystallography, 2016 1(2016), 11, p x161706 (DE-627)848322010 (DE-600)2847714-5 24143146 nnns volume:1 year:2016 number:11, p x161706 https://doi.org/10.1107/S2414314616017065 kostenfrei https://doaj.org/article/b9a1b8b6c5f241f7b5e0d9ef01ca627c kostenfrei http://scripts.iucr.org/cgi-bin/paper?S2414314616017065 kostenfrei https://doaj.org/toc/2414-3146 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 1 2016 11, p x161706
spelling	10.1107/S2414314616017065 doi (DE-627)DOAJ010948635 (DE-599)DOAJb9a1b8b6c5f241f7b5e0d9ef01ca627c DE-627 ger DE-627 rakwb eng QD901-999 Jackson Mulenga Chitanda verfasserin aut [1–9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate 2016 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The title compound, C57H85N9O9·2C2H3N [systematic name: cyclo-(prolyl-prolyl-phenylalanyl-phenylalanyl-leucyl-isoleucyl-isoleucylleucyl-valyl) acetonitrile disolvate; synonym: cyclolinopeptide acetonitrile disolvate], is a polypeptide with nine amino acids, viz. NαC-(Pro1–Pro2–Phe3–Phe4–Leu5–Ile6–Ile7–Leu8–Val9). It was extracted from flaxseed oil and crystallized from acetonitrile as a disolvate. In the title molecule, there are four intramolecular N—H...O hydrogen bonds. One of the two acetonitrile molecules is hydrogen bonded to Phe3 via an N—H...N hydrogen bond, while the second acetonitrile molecule is located at the other side of the peptide ring and is linked to the title molecule by a C—H...N hydrogen bond. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along the a-axis direction. The chains are linked by C—H...O hydrogen bonds, forming undulating layers parallel to the ac plane. crystal structure cyclic peptide orbitides cyclolinopeptide A [1–9-NαC]-linusorb B3 acetonitrile hydrogen bonding Crystallography Jianfeng Zhu verfasserin aut Philip Mausberg verfasserin aut Peta-Gaye Gillian Burnett verfasserin aut Martin J. T. Reaney verfasserin aut In IUCrData International Union of Crystallography, 2016 1(2016), 11, p x161706 (DE-627)848322010 (DE-600)2847714-5 24143146 nnns volume:1 year:2016 number:11, p x161706 https://doi.org/10.1107/S2414314616017065 kostenfrei https://doaj.org/article/b9a1b8b6c5f241f7b5e0d9ef01ca627c kostenfrei http://scripts.iucr.org/cgi-bin/paper?S2414314616017065 kostenfrei https://doaj.org/toc/2414-3146 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 1 2016 11, p x161706
allfields_unstemmed	10.1107/S2414314616017065 doi (DE-627)DOAJ010948635 (DE-599)DOAJb9a1b8b6c5f241f7b5e0d9ef01ca627c DE-627 ger DE-627 rakwb eng QD901-999 Jackson Mulenga Chitanda verfasserin aut [1–9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate 2016 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The title compound, C57H85N9O9·2C2H3N [systematic name: cyclo-(prolyl-prolyl-phenylalanyl-phenylalanyl-leucyl-isoleucyl-isoleucylleucyl-valyl) acetonitrile disolvate; synonym: cyclolinopeptide acetonitrile disolvate], is a polypeptide with nine amino acids, viz. NαC-(Pro1–Pro2–Phe3–Phe4–Leu5–Ile6–Ile7–Leu8–Val9). It was extracted from flaxseed oil and crystallized from acetonitrile as a disolvate. In the title molecule, there are four intramolecular N—H...O hydrogen bonds. One of the two acetonitrile molecules is hydrogen bonded to Phe3 via an N—H...N hydrogen bond, while the second acetonitrile molecule is located at the other side of the peptide ring and is linked to the title molecule by a C—H...N hydrogen bond. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along the a-axis direction. The chains are linked by C—H...O hydrogen bonds, forming undulating layers parallel to the ac plane. crystal structure cyclic peptide orbitides cyclolinopeptide A [1–9-NαC]-linusorb B3 acetonitrile hydrogen bonding Crystallography Jianfeng Zhu verfasserin aut Philip Mausberg verfasserin aut Peta-Gaye Gillian Burnett verfasserin aut Martin J. T. Reaney verfasserin aut In IUCrData International Union of Crystallography, 2016 1(2016), 11, p x161706 (DE-627)848322010 (DE-600)2847714-5 24143146 nnns volume:1 year:2016 number:11, p x161706 https://doi.org/10.1107/S2414314616017065 kostenfrei https://doaj.org/article/b9a1b8b6c5f241f7b5e0d9ef01ca627c kostenfrei http://scripts.iucr.org/cgi-bin/paper?S2414314616017065 kostenfrei https://doaj.org/toc/2414-3146 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 1 2016 11, p x161706
allfieldsGer	10.1107/S2414314616017065 doi (DE-627)DOAJ010948635 (DE-599)DOAJb9a1b8b6c5f241f7b5e0d9ef01ca627c DE-627 ger DE-627 rakwb eng QD901-999 Jackson Mulenga Chitanda verfasserin aut [1–9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate 2016 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The title compound, C57H85N9O9·2C2H3N [systematic name: cyclo-(prolyl-prolyl-phenylalanyl-phenylalanyl-leucyl-isoleucyl-isoleucylleucyl-valyl) acetonitrile disolvate; synonym: cyclolinopeptide acetonitrile disolvate], is a polypeptide with nine amino acids, viz. NαC-(Pro1–Pro2–Phe3–Phe4–Leu5–Ile6–Ile7–Leu8–Val9). It was extracted from flaxseed oil and crystallized from acetonitrile as a disolvate. In the title molecule, there are four intramolecular N—H...O hydrogen bonds. One of the two acetonitrile molecules is hydrogen bonded to Phe3 via an N—H...N hydrogen bond, while the second acetonitrile molecule is located at the other side of the peptide ring and is linked to the title molecule by a C—H...N hydrogen bond. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along the a-axis direction. The chains are linked by C—H...O hydrogen bonds, forming undulating layers parallel to the ac plane. crystal structure cyclic peptide orbitides cyclolinopeptide A [1–9-NαC]-linusorb B3 acetonitrile hydrogen bonding Crystallography Jianfeng Zhu verfasserin aut Philip Mausberg verfasserin aut Peta-Gaye Gillian Burnett verfasserin aut Martin J. T. Reaney verfasserin aut In IUCrData International Union of Crystallography, 2016 1(2016), 11, p x161706 (DE-627)848322010 (DE-600)2847714-5 24143146 nnns volume:1 year:2016 number:11, p x161706 https://doi.org/10.1107/S2414314616017065 kostenfrei https://doaj.org/article/b9a1b8b6c5f241f7b5e0d9ef01ca627c kostenfrei http://scripts.iucr.org/cgi-bin/paper?S2414314616017065 kostenfrei https://doaj.org/toc/2414-3146 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 1 2016 11, p x161706
allfieldsSound	10.1107/S2414314616017065 doi (DE-627)DOAJ010948635 (DE-599)DOAJb9a1b8b6c5f241f7b5e0d9ef01ca627c DE-627 ger DE-627 rakwb eng QD901-999 Jackson Mulenga Chitanda verfasserin aut [1–9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate 2016 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The title compound, C57H85N9O9·2C2H3N [systematic name: cyclo-(prolyl-prolyl-phenylalanyl-phenylalanyl-leucyl-isoleucyl-isoleucylleucyl-valyl) acetonitrile disolvate; synonym: cyclolinopeptide acetonitrile disolvate], is a polypeptide with nine amino acids, viz. NαC-(Pro1–Pro2–Phe3–Phe4–Leu5–Ile6–Ile7–Leu8–Val9). It was extracted from flaxseed oil and crystallized from acetonitrile as a disolvate. In the title molecule, there are four intramolecular N—H...O hydrogen bonds. One of the two acetonitrile molecules is hydrogen bonded to Phe3 via an N—H...N hydrogen bond, while the second acetonitrile molecule is located at the other side of the peptide ring and is linked to the title molecule by a C—H...N hydrogen bond. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along the a-axis direction. The chains are linked by C—H...O hydrogen bonds, forming undulating layers parallel to the ac plane. crystal structure cyclic peptide orbitides cyclolinopeptide A [1–9-NαC]-linusorb B3 acetonitrile hydrogen bonding Crystallography Jianfeng Zhu verfasserin aut Philip Mausberg verfasserin aut Peta-Gaye Gillian Burnett verfasserin aut Martin J. T. Reaney verfasserin aut In IUCrData International Union of Crystallography, 2016 1(2016), 11, p x161706 (DE-627)848322010 (DE-600)2847714-5 24143146 nnns volume:1 year:2016 number:11, p x161706 https://doi.org/10.1107/S2414314616017065 kostenfrei https://doaj.org/article/b9a1b8b6c5f241f7b5e0d9ef01ca627c kostenfrei http://scripts.iucr.org/cgi-bin/paper?S2414314616017065 kostenfrei https://doaj.org/toc/2414-3146 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 1 2016 11, p x161706
language	English
source	In IUCrData 1(2016), 11, p x161706 volume:1 year:2016 number:11, p x161706
sourceStr	In IUCrData 1(2016), 11, p x161706 volume:1 year:2016 number:11, p x161706
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	crystal structure cyclic peptide orbitides cyclolinopeptide A [1–9-NαC]-linusorb B3 acetonitrile hydrogen bonding Crystallography
isfreeaccess_bool	true
container_title	IUCrData
authorswithroles_txt_mv	Jackson Mulenga Chitanda @@aut@@ Jianfeng Zhu @@aut@@ Philip Mausberg @@aut@@ Peta-Gaye Gillian Burnett @@aut@@ Martin J. T. Reaney @@aut@@
publishDateDaySort_date	2016-01-01T00:00:00Z
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callnumber-first	Q - Science
author	Jackson Mulenga Chitanda
spellingShingle	Jackson Mulenga Chitanda misc QD901-999 misc crystal structure misc cyclic peptide misc orbitides misc cyclolinopeptide A misc [1–9-NαC]-linusorb B3 misc acetonitrile misc hydrogen bonding misc Crystallography [1–9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate
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issn	24143146
topic_title	QD901-999 [1–9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate crystal structure cyclic peptide orbitides cyclolinopeptide A [1–9-NαC]-linusorb B3 acetonitrile hydrogen bonding
topic	misc QD901-999 misc crystal structure misc cyclic peptide misc orbitides misc cyclolinopeptide A misc [1–9-NαC]-linusorb B3 misc acetonitrile misc hydrogen bonding misc Crystallography
topic_unstemmed	misc QD901-999 misc crystal structure misc cyclic peptide misc orbitides misc cyclolinopeptide A misc [1–9-NαC]-linusorb B3 misc acetonitrile misc hydrogen bonding misc Crystallography
topic_browse	misc QD901-999 misc crystal structure misc cyclic peptide misc orbitides misc cyclolinopeptide A misc [1–9-NαC]-linusorb B3 misc acetonitrile misc hydrogen bonding misc Crystallography
format_facet	Elektronische Aufsätze Aufsätze Elektronische Ressource
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title	[1–9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate
ctrlnum	(DE-627)DOAJ010948635 (DE-599)DOAJb9a1b8b6c5f241f7b5e0d9ef01ca627c
title_full	[1–9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate
author_sort	Jackson Mulenga Chitanda
journal	IUCrData
journalStr	IUCrData
callnumber-first-code	Q
lang_code	eng
isOA_bool	true
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publishDateSort	2016
contenttype_str_mv	txt
author_browse	Jackson Mulenga Chitanda Jianfeng Zhu Philip Mausberg Peta-Gaye Gillian Burnett Martin J. T. Reaney
container_volume	1
class	QD901-999
format_se	Elektronische Aufsätze
author-letter	Jackson Mulenga Chitanda
doi_str_mv	10.1107/S2414314616017065
author2-role	verfasserin
title_sort	[1–9-nαc]-linusorb b3 (cyclolinopeptide a) acetonitrile disolvate
callnumber	QD901-999
title_auth	[1–9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate
abstract	The title compound, C57H85N9O9·2C2H3N [systematic name: cyclo-(prolyl-prolyl-phenylalanyl-phenylalanyl-leucyl-isoleucyl-isoleucylleucyl-valyl) acetonitrile disolvate; synonym: cyclolinopeptide acetonitrile disolvate], is a polypeptide with nine amino acids, viz. NαC-(Pro1–Pro2–Phe3–Phe4–Leu5–Ile6–Ile7–Leu8–Val9). It was extracted from flaxseed oil and crystallized from acetonitrile as a disolvate. In the title molecule, there are four intramolecular N—H...O hydrogen bonds. One of the two acetonitrile molecules is hydrogen bonded to Phe3 via an N—H...N hydrogen bond, while the second acetonitrile molecule is located at the other side of the peptide ring and is linked to the title molecule by a C—H...N hydrogen bond. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along the a-axis direction. The chains are linked by C—H...O hydrogen bonds, forming undulating layers parallel to the ac plane.
abstractGer	The title compound, C57H85N9O9·2C2H3N [systematic name: cyclo-(prolyl-prolyl-phenylalanyl-phenylalanyl-leucyl-isoleucyl-isoleucylleucyl-valyl) acetonitrile disolvate; synonym: cyclolinopeptide acetonitrile disolvate], is a polypeptide with nine amino acids, viz. NαC-(Pro1–Pro2–Phe3–Phe4–Leu5–Ile6–Ile7–Leu8–Val9). It was extracted from flaxseed oil and crystallized from acetonitrile as a disolvate. In the title molecule, there are four intramolecular N—H...O hydrogen bonds. One of the two acetonitrile molecules is hydrogen bonded to Phe3 via an N—H...N hydrogen bond, while the second acetonitrile molecule is located at the other side of the peptide ring and is linked to the title molecule by a C—H...N hydrogen bond. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along the a-axis direction. The chains are linked by C—H...O hydrogen bonds, forming undulating layers parallel to the ac plane.
abstract_unstemmed	The title compound, C57H85N9O9·2C2H3N [systematic name: cyclo-(prolyl-prolyl-phenylalanyl-phenylalanyl-leucyl-isoleucyl-isoleucylleucyl-valyl) acetonitrile disolvate; synonym: cyclolinopeptide acetonitrile disolvate], is a polypeptide with nine amino acids, viz. NαC-(Pro1–Pro2–Phe3–Phe4–Leu5–Ile6–Ile7–Leu8–Val9). It was extracted from flaxseed oil and crystallized from acetonitrile as a disolvate. In the title molecule, there are four intramolecular N—H...O hydrogen bonds. One of the two acetonitrile molecules is hydrogen bonded to Phe3 via an N—H...N hydrogen bond, while the second acetonitrile molecule is located at the other side of the peptide ring and is linked to the title molecule by a C—H...N hydrogen bond. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along the a-axis direction. The chains are linked by C—H...O hydrogen bonds, forming undulating layers parallel to the ac plane.
collection_details	GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700
container_issue	11, p x161706
title_short	[1–9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate
url	https://doi.org/10.1107/S2414314616017065 https://doaj.org/article/b9a1b8b6c5f241f7b5e0d9ef01ca627c http://scripts.iucr.org/cgi-bin/paper?S2414314616017065 https://doaj.org/toc/2414-3146
remote_bool	true
author2	Jianfeng Zhu Philip Mausberg Peta-Gaye Gillian Burnett Martin J. T. Reaney
author2Str	Jianfeng Zhu Philip Mausberg Peta-Gaye Gillian Burnett Martin J. T. Reaney
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callnumber-subject	QD - Chemistry
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doi_str	10.1107/S2414314616017065
callnumber-a	QD901-999
up_date	2024-07-03T17:38:28.610Z
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[1–9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate

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