Chem
J-GLOBAL ID：200907036878374872   Nikkaji number：J1.844.118G

NS-220

2-メチル-5α-[4-(2-トルエン-4-イル-5-メチルオキサゾール-4-イル)ブチル]-1,3-ジオキサン-2α-カルボン酸
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： C21H27NO5
Molecular formula furigana： C21-H27-N-O5
Molecular weight： 373.449
InChI： InChI=1S/C21H27NO5/c1-14-8-10-17(11-9-14)19-22-18(15(2)27-19)7-5-4-6-16-12-25-21(3,20(23)24)26-13-16/h8-11,16H,4-7,12-13H2,1-3H3,(H,23,24)/t16-,21+
InChI key： IMYPSTHZBIWMNA-NBEIKUQISA-N
SMILES： Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(=O)O)c1ccc(C)cc1
Systematic name  (3)：
  • 2-メチル-5α-[4-(2-トルエン-4-イル-5-メチルオキサゾール-4-イル)ブチル]-1,3-ジオキサン-2α-カルボン酸
  • (2s,5s)-2-メチル-5-{4-[5-メチル-2-(4-メチルフェニル)-1,3-オキサゾール-4-イル]ブチル}-1,3-ジオキサン-2-カルボン酸
  • (2s,5s)-2-methyl-5-{4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butyl}-1,3-dioxane-2-carboxylic acid
Other name (2)：
  • 2-Methyl-5α-[4-(2-toluene-4-yl-5-methyloxazole-4-yl)butyl]-1,3-dioxane-2α-carboxylic acid
  • NS-220
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