Gut restricted-7
HIT212671356
sdf文件结构编辑类似物检索
HIT ID: HIT212671356
Cas No:
分子式: C25H40FNaO6S
分子量: 510.64
常用名: Gut restricted-7
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 5.1622
IUPAC: (1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-4-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl sodium sulfate
IUPAC: (1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-4-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl sodium sulfate
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(=O)(=O)O[Na])[C@H](C)CCC(=O)CF
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(=O)(=O)O[Na])[C@H](C)CCC(=O)CF
InChI key: GVCGSXGVFOXFAT-CTSSCMOWSA-M
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