Chem
J-GLOBAL ID：200907096119898096   Nikkaji number：J2.314.883H

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

2-[(S)-α-(tert-ブトキシカルボニルアミノ)ベンジル]マロン酸ジアリル
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： C21H27NO6
Molecular formula furigana： C21-H27-N-O6
Molecular weight： 389.448
InChI： InChI=1S/C21H27NO6/c1-6-13-26-18(23)16(19(24)27-14-7-2)17(15-11-9-8-10-12-15)22-20(25)28-21(3,4)5/h6-12,16-17H,1-2,13-14H2,3-5H3,(H,22,25)/t17-/m1/s1
InChI key： XKIZUDSIUVTQIZ-QGZVFWFLSA-N
SMILES： CC(C)(C)OC(=O)N[C@@H](C(C(=O)OCC=C)C(=O)OCC=C)c1ccccc1
Systematic name  (3)：
  • 2-[(S)-α-(tert-ブトキシカルボニルアミノ)ベンジル]マロン酸ジアリル
  • 1,3-ビス(プロパ-2-エン-1-イル) 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-bis(prop-2-en-1-yl) 2-[(S)-{[(tert-butoxy)carbonyl]amino}(phenyl)methyl]propanedioate
Other name (1)：
  • 2-[(S)-α-(tert-Butoxycarbonylamino)benzyl]malonic acid diallyl ester
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