Name: Bemnifosbuvir hemisulfate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213840431
Cas No:2241337-84-6
常用名:Bemnifosbuvir hemisulfate
别名:AT-527
IUPAC:bis(propan-2-yl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-[2-amino-6-(methylamino)-9H-purin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate); sulfuric acid
IUPAC:bis(propan-2-yl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-[2-amino-6-(methylamino)-9H-purin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate); sulfuric acid
InChI key:QIGYBLSWYRTXCA-NVSCJZCKSA-N

分子式:C48H68F2N14O18P2S
分子量:1261.16
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OS(O)(=O)=O.CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F.CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F
SMILES:OS(O)(=O)=O.CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F.CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F

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