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]-2-butanamido-3-methylbutanamide

(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]-2-butanamido-3-methylbutanamide 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]-2-butanamido-3-methylbutanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177412550
SMILES
CCCC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1[C@H](OC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC1=O)CC(C)C)C(C)C)C(C)C)C(C)C)C
Canonical SMILES
CCCC(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC(C(C)C)C(=O)O[C@@H]1C)C(C)C

名称与同义词

  • Xentrivalpeptide J
  • J3.127.134G
  • Cyclo[Val-N-(N-butanoyl-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]-2-butanamido-3-methylbutanamide