(4S)-4-{[(1S,2S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-2-[(2S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S,3S)-2-acetamido-3-methylpentanamido]propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]butanamido]-4-carboxybutanamido]-3-methylbutanamido]acetamido}hexanamido]propanamido]-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-2-carboxy-1-({[({[(1S)-1,2-dicarbamoylethyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)ethyl]carbamoyl}butyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-methylbutyl]carbamoyl}-4-{[(2S)-1-[(2S)-3-carboxy-2-(2-{2-[(2S)-2-acetamido-3-hydroxypropanamido]acetamido}acetamido)propanoyl]pyrrolidin-2-yl]formamido}butanoic acid

化合物标识与属性

PubChem CID

177575244

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)C)NC(=O)C

Canonical SMILES

CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(C)=O)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(N)=O)[C@@H](C)O)C(C)C