Chemical Compound

(4S)-4-{[(1S)-1-{[(2S)-1-[(2S)-2-[(3aS,6aR)-6-ethyl-4-methanesulfonyl-5-oxo-octahydropyrrolo[3,2-b]pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-carboxyethyl]carbamoyl}-4-acetamidobutanoic acid

(4S)-4-{[(1S)-1-{[(2S)-1-[(2S)-2-[(3aS,6aR)-6-ethyl-4-methanesulfonyl-5-oxo-octahydropyrrolo[3,2-b]pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-carboxyethyl]carbamoyl}-4-acetamidobutanoic acid 结构式
Primary record

(4S)-4-{[(1S)-1-{[(2S)-1-[(2S)-2-[(3aS,6aR)-6-ethyl-4-methanesulfonyl-5-oxo-octahydropyrrolo[3,2-b]pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-carboxyethyl]carbamoyl}-4-acetamidobutanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
44341345
SMILES
CCC1[C@@H]2[C@H](CCN2C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C)N(C1=O)S(=O)(=O)C
Canonical SMILES
CCC1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)[C@H]12

名称与同义词

  • CHEMBL331830
  • J1.825.758K
  • (3aalpha,6abeta)-1-(Methylsulfonyl)-3-ethyl-4-(Ac-L-Glu-L-Asp-L-Val-L-Pro-)octahydropyrrolo[3,2-b]pyrrole-2-one
  • (4S)-4-{[(1S)-1-{[(2S)-1-[(2S)-2-[(3aS,6aR)-6-ethyl-4-methanesulfonyl-5-oxo-octahydropyrrolo[3,2-b]pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-carboxyethyl]carbamoyl}-4-acetamidobutanoic acid