Samatasvir
HIT100214628
sdf文件结构编辑类似物检索
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
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
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
共显示3个结果
供应商规格单价货期纯度操作
TargetMol
SC
7461-3天98.04% 购物车
ChemDiv
SC
6602-3周 购物车
Alinda Chemical
SC
9903-5周 购物车
TargetMol | Target Loading
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