Chemical Compound

(2S)-N-((3S,6S,9S,12R,13S,16R,21AS)-16-benzyl-6-ethyl-1,4,7,14-tetrahydroxy-12-methyl-10,17-dioxo-3,9-bis(propan-2-yl)-3H,6H,9H,10H,12H,13H,16H,17H,19H,20H,21H,21ah-pyrrolo(2,1-L)1-oxa-4,7,10,13,16-pentaazacyclononadecan-13-yl)-2-((1-hydroxy-2-phenylethylidene)amino)-3-methylbutanimidate

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(2S)-N-((3S,6S,9S,12R,13S,16R,21AS)-16-benzyl-6-ethyl-1,4,7,14-tetrahydroxy-12-methyl-10,17-dioxo-3,9-bis(propan-2-yl)-3H,6H,9H,10H,12H,13H,16H,17H,19H,20H,21H,21ah-pyrrolo(2,1-L)1-oxa-4,7,10,13,16-pentaazacyclononadecan-13-yl)-2-((1-hydroxy-2-phenylethylidene)amino)-3-methylbutanimidate 结构式
Primary record

(2S)-N-((3S,6S,9S,12R,13S,16R,21AS)-16-benzyl-6-ethyl-1,4,7,14-tetrahydroxy-12-methyl-10,17-dioxo-3,9-bis(propan-2-yl)-3H,6H,9H,10H,12H,13H,16H,17H,19H,20H,21H,21ah-pyrrolo(2,1-L)1-oxa-4,7,10,13,16-pentaazacyclononadecan-13-yl)-2-((1-hydroxy-2-phenylethylidene)amino)-3-methylbutanimidate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
71620039
SMILES
CC[C@H]1C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)C(C)C)CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)CC4=CC=CC=C4)C)C(C)C
Canonical SMILES
CC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)NC1=O

名称与同义词

  • Xentrivalpeptide O
  • RefChem:195287
  • CHEBI:198045
  • (2S)-N-[(3R,6S,7R,10S,13S,16S,19S)-3-benzyl-13-ethyl-7-methyl-2,5,9,12,15,18-hexaoxo-10,16-di(propan-2-yl)-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
  • (2S)-N-((3R,6S,7R,10S,13S,16S,19S)-3-benzyl-13-ethyl-7-methyl-2,5,9,12,15,18-hexaoxo-10,16-di(propan-2-yl)-8-oxa-1,4,11,14,17-pentazabicyclo(17.3.0)docosan-6-yl)-3-methyl-2-((2-phenylacetyl)amino)butanamide
  • (2S)-N-((3S,6S,9S,12R,13S,16R,21AS)-16-benzyl-6-ethyl-1,4,7,14-tetrahydroxy-12-methyl-10,17-dioxo-3,9-bis(propan-2-yl)-3H,6H,9H,10H,12H,13H,16H,17H,19H,20H,21H,21ah-pyrrolo(2,1-L)1-oxa-4,7,10,13,16-pentaazacyclononadecan-13-yl)-2-((1-hydroxy-2-phenylethylidene)amino)-3-methylbutanimidate
  • (2S)-N-[(3S,6S,9S,12R,13S,16R,21AS)-16-benzyl-6-ethyl-1,4,7,14-tetrahydroxy-12-methyl-10,17-dioxo-3,9-bis(propan-2-yl)-3H,6H,9H,10H,12H,13H,16H,17H,19H,20H,21H,21ah-pyrrolo[2,1-L]1-oxa-4,7,10,13,16-pentaazacyclononadecan-13-yl]-2-[(1-hydroxy-2-phenylethylidene)amino]-3-methylbutanimidate