Chem
J-GLOBAL ID：200907084430676970   Nikkaji number：J934.429B

4-[3-[(2S)-4-Oxo-3-(3-hydroxyoctyl)thiazolidin-2-yl]propyl]benzoic acid

4-[3-[(2S)-4-オキソ-3-(3-ヒドロキシオクチル)チアゾリジン-2-イル]プロピル]安息香酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H31NO4S
Molecular formula furigana： C21-H31-N-O4-S
Molecular weight： 393.540
InChI： InChI=1S/C21H31NO4S/c1-2-3-4-7-18(23)13-14-22-19(24)15-27-20(22)8-5-6-16-9-11-17(12-10-16)21(25)26/h9-12,18,20,23H,2-8,13-15H2,1H3,(H,25,26)/t18?,20-/m0/s1
InChI key： NDAXAJCKSWCWQI-IJHRGXPZSA-N
SMILES： CCCCCC(O)CCN1[C@H](CCCc2ccc(cc2)C(=O)O)SCC1=O
Systematic name  (3)：
  • 4-[3-[(2S)-4-オキソ-3-(3-ヒドロキシオクチル)チアゾリジン-2-イル]プロピル]安息香酸
  • 4-{3-[(2S)-3-(3-ヒドロキシオクチル)-4-オキソ-1,3-チアゾリジン-2-イル]プロピル}安息香酸
  • 4-{3-[(2S)-3-(3-hydroxyoctyl)-4-oxo-1,3-thiazolidin-2-yl]propyl}benzoic acid
Other name (1)：
  • 4-[3-[(2S)-4-Oxo-3-(3-hydroxyoctyl)thiazolidin-2-yl]propyl]benzoic acid
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