Chemical Compound

(2S)-N-[(3S,6S,9S,12R,13S,16R,21aS)-12-methyl-16-(2-methylpropyl)-1,4,7,10,14,17-hexaoxo-3,6,9-tris(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,16R,21aS)-12-methyl-16-(2-methylpropyl)-1,4,7,10,14,17-hexaoxo-3,6,9-tris(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,16R,21aS)-12-methyl-16-(2-methylpropyl)-1,4,7,10,14,17-hexaoxo-3,6,9-tris(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
177461767
SMILES
C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)O1)C(C)C)C(C)C)C(C)C)CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC3=CC=CC=C3
Canonical SMILES
CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)[C@@H](C)OC(=O)C(C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C1=O

名称与同义词

  • Xentrivalpeptide L
  • J3.127.136C
  • Cyclo[Val-N-[N-(phenylacetyl)-L-valyl]-Thr*-D-Leu-Pro-Val-Val-]
  • (2S)-N-[(3S,6S,9S,12R,13S,16R,21aS)-12-methyl-16-(2-methylpropyl)-1,4,7,10,14,17-hexaoxo-3,6,9-tris(propan-2-yl)-icosahydropyrrolo[2,1-l]1-oxa-4,7,10,13,16-pentaazacyclononadecan-13-yl]-3-methyl-2-(2-phenylacetamido)butanamide