HIT ID: HIT212685155
Cas No: 2545-84-8
分子式: C8H17NO6S
分子量: 255.29
常用名: Pantoyltaurine
氢键受体数 (HBA): 6
氢键供体数 (HBD): 4
LogP: -2.978775
IUPAC: 2-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]ethane-1-sulfonic acid
IUPAC: 2-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]ethane-1-sulfonic acid
SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCS(O)(=O)=O
SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCS(O)(=O)=O
InChI key: IZRUXXTXKZAGQQ-LURJTMIESA-N