Chem
J-GLOBAL ID：200907075720239892   Nikkaji number：J2.314.880C

2-[(S)-α-(tert-Butoxycarbonylamino)benzyl]malonic acid dibenzyl ester

2-[(S)-α-(tert-ブトキシカルボニルアミノ)ベンジル]マロン酸ジベンジル
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： C29H31NO6
Molecular formula furigana： C29-H31-N-O6
Molecular weight： 489.568
InChI： InChI=1S/C29H31NO6/c1-29(2,3)36-28(33)30-25(23-17-11-6-12-18-23)24(26(31)34-19-21-13-7-4-8-14-21)27(32)35-20-22-15-9-5-10-16-22/h4-18,24-25H,19-20H2,1-3H3,(H,30,33)/t25-/m1/s1
InChI key： UMLVEWFWADKJFE-RUZDIDTESA-N
SMILES： CC(C)(C)OC(=O)N[C@@H](C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1
Systematic name  (3)：
  • 2-[(S)-α-(tert-ブトキシカルボニルアミノ)ベンジル]マロン酸ジベンジル
  • 1,3-ジベンジル 2-[(S)-{[(tert-ブトキシ)カルボニル]アミノ}(フェニル)メチル]プロパンジオアート
  • 1,3-dibenzyl 2-[(S)-{[(tert-butoxy)carbonyl]amino}(phenyl)methyl]propanedioate
Other name (1)：
  • 2-[(S)-α-(tert-Butoxycarbonylamino)benzyl]malonic acid dibenzyl ester
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