Chem
J-GLOBAL ID:200907083734080058   Nikkaji number:J2.314.830G

2-[(S)-α-(tert-Butoxycarbonylamino)-4-methylbenzyl]malonic acid dimethyl ester

2-[(S)-α-(tert-ブトキシカルボニルアミノ)-4-メチルベンジル]マロン酸ジメチル
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: C18H25NO6
Molecular formula furigana: C18-H25-N-O6
Molecular weight: 351.399
InChI: InChI=1S/C18H25NO6/c1-11-7-9-12(10-8-11)14(19-17(22)25-18(2,3)4)13(15(20)23-5)16(21)24-6/h7-10,13-14H,1-6H3,(H,19,22)/t14-/m1/s1
InChI key: QROQVFDRMXJCAL-CQSZACIVSA-N
SMILES: COC(=O)C([C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)C(=O)OC
Systematic name  (4):
  • 2-[(S)-α-(tert-ブトキシカルボニルアミノ)-4-メチルベンジル]マロン酸ジメチル
  • [(S)-α-[(tert-ブチルオキシカルボニル)アミノ]-4-メチルベンジル]マロン酸ジメチル
  • 1,3-ジメチル 2-[(S)-{[(tert-ブトキシ)カルボニル]アミノ}(4-メチルフェニル)メチル]プロパンジオアート
  • 1,3-dimethyl 2-[(S)-{[(tert-butoxy)carbonyl]amino}(4-methylphenyl)methyl]propanedioate
Other name (2):
  • 2-[(S)-α-(tert-Butoxycarbonylamino)-4-methylbenzyl]malonic acid dimethyl ester
  • [(S)-α-[(tert-Butyloxycarbonyl)amino]-4-methylbenzyl]malonic acid dimethyl ester
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