(1R,7S,10S,13S,16S,19R,24R,27S,33S,36S,43R)-7-(4-aminobutyl)-43-[(2S)-2-{2-[(4-benzoylphenyl)formamido]acetamido}-5-carbamimidamidopentanamido]-10-(carbamoylmethyl)-16-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-27-[(1H-imidazol-4-yl)methyl]-36-methyl-2,5,8,11,14,17,25,28,34,37,44-undecaoxo-21,22,40,41-tetrathia-3,6,9,12,15,18,26,29,35,38,45-undecaazatricyclo[22.14.7.029,33]pentatetracontane-19-carboxamide

化合物标识与属性

PubChem CID

177388244

SMILES

C[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC2=O)CCCCN)CC(=O)N)CC3=CC=C(C=C3)O)CO)C(=O)N)C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N1)CC5=CNC=N5)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7

Canonical SMILES

C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CSSC[C@@H](C(N)=O)NC(=O)C(CO)NC(=O)C(Cc3ccc(O)cc3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)c3ccc(C(=O)c4ccccc4)cc3)C(=O)N2)NC1=O