Sofosbuvir-13C-d3
HIT218849488
sdf文件结构编辑类似物检索
HIT ID: HIT218849488
Cas No:
分子式: C22H29FN3O9P
分子量: 533.469
常用名: Sofosbuvir-13C-d3
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: propan-2-yl (2S)-2-{[(R)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-fluoro-3-hydroxy-4-(13C,2H3)methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate
IUPAC: propan-2-yl (2S)-2-{[(R)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-fluoro-3-hydroxy-4-(13C,2H3)methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate
SMILES: [2H][13C]([2H])([2H])[C@@]1(F)[C@H](O)[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O
SMILES: [2H][13C]([2H])([2H])[C@@]1(F)[C@H](O)[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O
InChI key: TTZHDVOVKQGIBA-NAPJFFGZSA-N
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