Chemical Compound

(2S)-N-[(2S,5S,8S,11R,12S,18S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-15-[[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]pentanediamide

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(2S)-N-[(2S,5S,8S,11R,12S,18S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-15-[[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]pentanediamide 结构式
Primary record

(2S)-N-[(2S,5S,8S,11R,12S,18S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-15-[[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]pentanediamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
102041486
SMILES
CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)NC(C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=CC=C3)C)CC(C)C)O)C[C@@H]4CC[C@H](C=C4)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CC5=CC=C(C=C5)O)O)C
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N2C(=O)[C@H](CC[C@H]2O)NC(=O)C(C[C@H]2C=C[C@H](O)CC2)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](O)Cc2ccc(O)cc2)[C@@H](C)OC1=O

名称与同义词

  • Micropeptin DR1060
  • RefChem:158708
  • SCHEMBL29884450
  • CHEBI:201066
  • DTXSID901046432
  • (2S)-N-[(2S,5S,8S,11R,12S,18S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-15-[[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]pentanediamide
  • (2S)-N-((2S,5S,8S,11R,12S,18S,21R)-5-benzyl-8-((2S)-butan-2-yl)-21-hydroxy-15-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo(16.3.1)docosan-12-yl)-2-(((2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl)amino)pentanediamide
  • (2S)-N1-((2R,5R,8R,11R,12R,18R,21S)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-15-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-2-isobutyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo(16.3.1)docosan-12-yl)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)pentanediamide
  • (2S)-N1-((2R,5R,8R,11R,12R,18R,21S)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-15-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-2-isobutyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)pentanediamide