HIT ID: HIT100214628

Cas No: 1312547-19-5

分子式: C47H48N8O6S2

分子量: 885.07

常用名: Samatasvir

氢键受体数 (HBA): 12

氢键供体数 (HBD): 4

LogP: 7.042

IUPAC: methyl N-[(1R)-2-[(2S)-2-{5-[4-(6-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-1,3-benzodiazol-6-yl}thieno[3,2-b]thiophen-3-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

SMILES: COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)-c1csc2c(csc12)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC)c1ccccc1

InChI key: ATOLIHZIXHZSBA-BTSKBWHGSA-N