(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-4-carbamoyl-2-{[(2S)-1-[(2S)-2-[(2S)-3-hydroxy-2-[6-(prop-2-enamido)hexanamido]propanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}butanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]hexanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

化合物标识与属性

PubChem CID

101192368

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CO)NC(=O)CCCCCNC(=O)C=C

Canonical SMILES

C=CC(=O)NCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O