(2R)-2-amino-3-[(3-nitropyridin-2-yl)disulfanyl]-N-{4-[(3S,6S,9S,15S,21S,24S,27S,33S)-3,9,21,24-tetramethyl-2,5,8,11,14,20,23,26,29,32-decaoxo-27-{4-[2-({[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}imino)acetamido]butyl}-1,4,7,10,13,19,22,25,28,31-decaazatricyclo[31.3.0.015,19]hexatriacontan-6-yl]butyl}propanamide

化合物标识与属性

PubChem CID

177517668

SMILES

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)N3CCC[C@H]3C(=O)NCC(=O)N1)C)C)CCCCNC(=O)/C=N/O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)CCCCNC(=O)[C@H](CSSC5=C(C=CC=N5)[N+](=O)[O-])N

Canonical SMILES

C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)/C=N/O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)[C@@H](N)CSSc2ncccc2[N+](=O)[O-])NC1=O