(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1-{2-[(3S,9S,12S,15S,18S,21S,24S,30S,33S)-15-(4-aminobutyl)-9,30-bis[(2S)-butan-2-yl]-24-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-2,8,11,14,17,20,23,26,29,32-decaoxo-1,7,10,13,16,19,22,25,28,31-decaazatricyclo[31.3.0.03,7]hexatriacontan-21-yl]ethyl}-1H-1,2,3-triazol-4-yl)propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

化合物标识与属性

PubChem CID

102455643

SMILES

CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N1)[C@@H](C)CC)CO)CCCCN)[C@@H](C)O)CCN4C=C(N=N4)C[C@@H](C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CC(=O)O)C(=O)O)N)CCCN=C(N)N

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCn2cc(C[C@H](N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(=O)O)C(=O)O)nn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC1=O