Chem
J-GLOBAL ID:200907029750729078
Nikkaji number:J934.428D
4-[3-[(2R)-4-Oxo-3-(3-hydroxyoctyl)thiazolidin-2-yl]propyl]benzoic acid
4-[3-[(2R)-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
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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:
C21 H31 NO4 S
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-/m1/s1
InChI key:
NDAXAJCKSWCWQI-ROPPNANJSA-N
SMILES:
CCCCCC(O)CCN1[C@@H](CCCc2ccc(cc2)C(=O)O)SCC1=O
Systematic name (3):
4-[3-[(2R)-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-[(2R)-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-[(2R)-3-(3-hydroxyoctyl)-4-oxo-1,3-thiazolidin-2-yl]propyl}benzoic acid
Other name (1):
4-[3-[(2R)-4-Oxo-3-(3-hydroxyoctyl)thiazolidin-2-yl]propyl]benzoic acid
Thsaurus map:
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