sodium taurohyocholate anion, Taurohyocholic Acid sodium
HIT218832948
sdf文件结构编辑类似物检索
HIT ID: HIT218832948
Cas No:
分子式: C26H44NNaO7S
分子量: 537.69
常用名: sodium taurohyocholate anion, Taurohyocholic Acid sodium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium 2-[(4R)-4-[(1R,3aS,3bS,4S,5R,5aR,7R,9aR,9bS,11aR)-4,5,7-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonate
SMILES: [Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS([O-])(=O)=O
InChI key: NYXROOLWUZIWRB-YOAOXILXSA-M
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