Chem
J-GLOBAL ID:200907017161806765   Nikkaji number:J456.570C

(βS)-β-(1-Hydroxy-1-methylethyl)-N-benzoyl-L-aspartic acid dimethyl ester

(βS)-β-(1-ヒドロキシ-1-メチルエチル)-N-ベンゾイル-L-アスパラギン酸ジメチル
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: C16H21NO6
Molecular formula furigana: C16-H21-N-O6
Molecular weight: 323.345
InChI: InChI=1S/C16H21NO6/c1-16(2,21)11(14(19)22-3)12(15(20)23-4)17-13(18)10-8-6-5-7-9-10/h5-9,11-12,21H,1-4H3,(H,17,18)/t11-,12+/m1/s1
InChI key: BNHRKEJWYYZEOQ-NEPJUHHUSA-N
SMILES: COC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C(=O)OC)C(C)(C)O
Systematic name  (3):
  • (βS)-β-(1-ヒドロキシ-1-メチルエチル)-N-ベンゾイル-L-アスパラギン酸ジメチル
  • 1,4-ジメチル (2S,3S)-2-(2-ヒドロキシプロパン-2-イル)-3-(フェニルホルムアミド)ブタンジオアート
  • 1,4-dimethyl (2S,3S)-2-(2-hydroxypropan-2-yl)-3-(phenylformamido)butanedioate
Other name (1):
  • (βS)-β-(1-Hydroxy-1-methylethyl)-N-benzoyl-L-aspartic acid dimethyl ester
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