2-[(1R,4S,10S,13S,16S,19S,22S,25R,28S,31S,37S,40S,43S)-22-(4-aminobutyl)-4-[(2S)-butan-2-yl]-10-(3-carbamimidamidopropyl)-37-(2-carbamoylethyl)-13,16-bis(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-43-[(1H-indol-3-yl)methyl]-28-(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,36,39,42,45-tetradecaoxo-47,48-dithia-2,5,8,11,14,17,20,23,26,29,35,38,41,44-tetradecaazatricyclo[23.20.4.031,35]nonatetracontan-40-yl]acetic acid

化合物标识与属性

PubChem CID

177528180

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CCCN=C(N)N)CO)CO)CC3=CC=C(C=C3)O)CCCCN)NC(=O)C(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC5=CNC6=CC=CC=C65)CC(=O)O)CCC(=O)N)CC(C)C

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NC(CC(C)C)C(=O)N2