6-amino-2-{[19-(4-aminobutyl)-13,25,28-tribenzyl-37-{1-[2-(5-carbamimidamido-2-{2-[5-carbamimidamido-2-(5-carbamimidamido-2-{2-[2-(4-carbamoyl-2-{4-carbamoyl-2-[(1-{1-[2-(2-{4-carboxy-2-[(5-oxopyrrolidin-2-yl)formamido]butanamido}acetamido)propanoyl]pyrrolidine-2-carbonyl}pyrrolidin-2-yl)formamido]butanamido}butanamido)-3-hydroxypropanamido]propanamido}pentanamido)pentanamido]-3-carboxypropanamido}pentanamido)-4-(methylsulfanyl)butanoyl]pyrrolidine-2-amido}-34-(3-carbamimidamidopropyl)-31-(carbamoylmethyl)-16-(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

172005884

SMILES

CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(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)C6CCCN6C(=O)C(CCSC)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C7CCCN7C(=O)C8CCCN8C(=O)C(C)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C9CCC(=O)N9)C(=O)NC(CCCCN)C(=O)O)CO)CO)CC1=CC=CC=C1)O

Canonical SMILES

CSCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(C)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC1CSSCC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)C(CCCNC(=N)N)NC1=O