3-[(3R,9S,12S,15S,18S,24S,27S,30S,33S,36S,39S,42S,45S,48S)-9,24,27,45-tetrakis(4-aminobutyl)-12-benzyl-15,36,42-tris[(2S)-butan-2-yl]-30-(3-carbamimidamidopropyl)-2,8,11,14,17,23,26,29,32,35,38,41,44,47-tetradecaoxo-33-(propan-2-yl)-1,7,10,13,16,22,25,28,31,34,37,40,43,46-tetradecaazatetracyclo[46.3.0.03,7.018,22]henpentacontan-39-yl]propanoic acid

化合物标识与属性

PubChem CID

177567859

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N3CCC[C@H]3C(=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)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N1)CCCCN)CCCCN)CCCN=C(N)N)C(C)C)[C@@H](C)CC)CCC(=O)O)[C@@H](C)CC)CCCCN)CCCCN)CC5=CC=CC=C5

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC1=O