Yimitasvir diphosphate
HIT217586372
sdf文件结构编辑类似物检索
HIT ID: HIT217586372
Cas No: 1959593-63-5
分子式: C49H64N8O14P2
分子量: 1051.041
常用名: Yimitasvir diphosphate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl N-[(2S)-1-[(2S)-2-{6-[(1S,8R)-6-(4-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)tricyclo[6.2.1.0^{2,7}]undeca-2,4,6-trien-3-yl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate; bis(phosphoric acid)
IUPAC: methyl N-[(2S)-1-[(2S)-2-{6-[(1S,8R)-6-(4-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)tricyclo[6.2.1.0^{2,7}]undeca-2,4,6-trien-3-yl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate; bis(phosphoric acid)
SMILES: OP(O)(O)=O.OP(O)(O)=O.[H][C@@]12CC[C@@]([H])(C1)c1c2c(ccc1-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
SMILES: OP(O)(O)=O.OP(O)(O)=O.[H][C@@]12CC[C@@]([H])(C1)c1c2c(ccc1-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
InChI key: KRUXCUGAHYWSKK-RTNSEEPCSA-N
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