(1R,7S,10S,13S,16S,19R,24R,27S,33S,36S,43R)-43-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]-7-{4-[(4-azidophenyl)formamido]butyl}-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

177504725

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)CCCCNC(=O)C3=CC=C(C=C3)N=[N+]=[N-])CC(=O)N)CC4=CC=C(C=C4)O)CO)C(=O)N)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N1)CC6=CNC=N6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN

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](CCCCNC(=O)c3ccc(N=[N+]=[N-])cc3)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N2)NC1=O