3-[(3S,6S,9S,12S,15S,21S,27S,30S,33S,36S,39S,45R)-36,39-bis(4-aminobutyl)-33-[(2S)-butan-2-yl]-15-(3-carbamimidamidopropyl)-27-(2-carbamoylethyl)-12-[(4-hydroxyphenyl)methyl]-30-(2-methylpropyl)-2,5,8,11,14,17,20,26,29,32,35,38,41,44-tetradecaoxo-3,9-bis(propan-2-yl)-1,4,7,10,13,16,19,25,28,31,34,37,40,43-tetradecaazatricyclo[43.3.0.021,25]octatetracontan-6-yl]propanoic acid

化合物标识与属性

PubChem CID

177445237

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=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)N3CCC[C@@H]3C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CCCCN)C(C)C)CCC(=O)O)C(C)C)CC4=CC=C(C=C4)O)CCCN=C(N)N)CCC(=O)N)CC(C)C

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC1=O