Chem
J-GLOBAL ID：200907002419730745   Nikkaji number：J1.877.837H

[(S)-1-Methyl-3-oxopropyl]malonic acid dibenzyl ester

[(S)-1-メチル-3-オキソプロピル]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： C21H22O5
Molecular formula furigana： C21-H22-O5
Molecular weight： 354.402
InChI： InChI=1S/C21H22O5/c1-16(12-13-22)19(20(23)25-14-17-8-4-2-5-9-17)21(24)26-15-18-10-6-3-7-11-18/h2-11,13,16,19H,12,14-15H2,1H3/t16-/m0/s1
InChI key： UDLPVMVLMMHBCR-INIZCTEOSA-N
SMILES： C[C@@H](CC=O)C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Systematic name  (4)：
  • [(S)-1-メチル-3-オキソプロピル]マロン酸ジベンジル
  • 2-[(S)-1-メチル-3-オキソプロピル]マロン酸ジベンジル
  • 1,3-ジベンジル 2-[(2S)-4-オキソブタン-2-イル]プロパンジオアート
  • 1,3-dibenzyl 2-[(2S)-4-oxobutan-2-yl]propanedioate
Other name (2)：
  • [(S)-1-Methyl-3-oxopropyl]malonic acid dibenzyl ester
  • 2-[(S)-1-Methyl-3-oxopropyl]malonic acid dibenzyl ester
Thsaurus map：
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