(2S)-2-[[(3S,6S,13S,14S,17S,20R,23S,26S,29S)-6-[[(2S)-2-[[(2R,3R)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-23-(carboxymethyl)-13-hydroxy-26-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-20-(1H-indol-3-ylmethyl)-17-(3-methoxy-3-oxopropyl)-2,5,12,16,19,22,25,28-octaoxo-1,4,11,15,18,21,24,27-octazabicyclo[27.3.0]dotriacontane-14-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

化合物标识与属性

PubChem CID

139585383

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)[C@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)CC3=CC=C(C=C3)O)CO)CC(=O)O)CC4=CNC5=CC=CC=C54)CCC(=O)OC)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)O)O)NC(=O)C)O

Canonical SMILES

COC(=O)CC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)CCCCNC(=O)[C@@H](O)[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O