Chemical Compound

(2S)-N-[(3S,6S,9S,12R,13S,16S,21aS)-16-benzyl-6-ethyl-12-methyl-1,4,7,10,14,17-hexaoxo-3,9-bis(propan-2-yl)-icosahydropyrrolo[2,1-l]1-oxa-4,7,10,13,16-pentaazacyclononadecan-13-yl]-3-methyl-2-(2-phenylacetamido)butanamide

(2S)-N-[(3S,6S,9S,12R,13S,16S,21aS)-16-benzyl-6-ethyl-12-methyl-1,4,7,10,14,17-hexaoxo-3,9-bis(propan-2-yl)-icosahydropyrrolo[2,1-l]1-oxa-4,7,10,13,16-pentaazacyclononadecan-13-yl]-3-methyl-2-(2-phenylacetamido)butanamide 结构式
Primary record

(2S)-N-[(3S,6S,9S,12R,13S,16S,21aS)-16-benzyl-6-ethyl-12-methyl-1,4,7,10,14,17-hexaoxo-3,9-bis(propan-2-yl)-icosahydropyrrolo[2,1-l]1-oxa-4,7,10,13,16-pentaazacyclononadecan-13-yl]-3-methyl-2-(2-phenylacetamido)butanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177536024
SMILES
CCC1C(=O)NC(C(=O)O[C@@H](C(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
CCC1NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)C(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)[C@@H](C)OC(=O)C(C(C)C)NC1=O

名称与同义词

  • Xentrivalpeptide O
  • J3.127.139H
  • Cyclo[Val-N-[N-(phenylacetyl)-L-valyl]-Thr*-Phe-Pro-Val-L-Abu-]
  • (2S)-N-[(3S,6S,9S,12R,13S,16S,21aS)-16-benzyl-6-ethyl-12-methyl-1,4,7,10,14,17-hexaoxo-3,9-bis(propan-2-yl)-icosahydropyrrolo[2,1-l]1-oxa-4,7,10,13,16-pentaazacyclononadecan-13-yl]-3-methyl-2-(2-phenylacetamido)butanamide