(2S)-6-amino-2-{[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-37-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-amido]-19-(4-aminobutyl)-13,25,28-tribenzyl-34-(3-carbamimidamidopropyl)-31-(carbamoylmethyl)-16-[(1R)-1-hydroxyethyl]-7,10-bis(hydroxymethyl)-22-[(1H-indol-3-yl)methyl]-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontan-4-yl]formamido}hexanoic acid

化合物标识与属性

PubChem CID

177633642

SMILES

C[C@H]([C@H]1C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@@H](CSSCC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)N)C(=O)N[C@@H](CCCCN)C(=O)O)CO)CO)CC7=CC=CC=C7)O

Canonical SMILES

CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)NC1CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)C(CO)NC(=O)[C@H](CO)NC(=O)C(Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)C(CCCNC(=N)N)NC1=O