(4S)-4-AMINO-4-{[(2S,3R)-1-[(2S)-2-{[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-AMINO-1-{[(1S)-1-{[(1R)-1-{[(1S)-1-CARBOXY-2-METHYLPROPYL]CARBAMOYL}-2-SULFANYLETHYL]CARBAMOYL}-2-(4-HYDROXYPHENYL)ETHYL]CARBAMOYL}PENTYL]CARBAMOYL}-2-(1H-INDOL-3-YL)ETHYL]CARBAMOYL}-2-PHENYLETHYL]CARBAMOYL}-2-SULFANYLETHYL]CARBAMOYL}-2-CARBOXYETHYL]CARBAMOYL}PYRROLIDIN-1-YL]-3-HYDROXY-1-OXOBUTAN-2-YL]CARBAMOYL}BUTANOIC ACID

化合物标识与属性

CAS

251293-28-4

PubChem CID

102179738

SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)N)O

Canonical SMILES

CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O