(3S)-3-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S)-2-[(2R)-2-{2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]-3-hydroxypropanamido]hexanamido]acetamido}-3-sulfanylpropanamido]-3-phenylpropanamido]acetamido}-4-methylpentanamido]hexanamido]-4-methylpentanamido]-3-{[(1S)-4-carbamimidamido-1-{[(1S,2S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-[({[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-2-methylbutyl]carbamoyl}butyl]carbamoyl}propanoic acid

化合物标识与属性

PubChem CID

16207823

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CN

Canonical SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)O