Chem
J-GLOBAL ID：200907093042280990   Nikkaji number：J2.314.865J

2-[(S)-(tert-Butoxycarbonylamino)(1,3-benzodioxole-5-yl)methyl]malonic acid dibenzyl ester

2-[(S)-(tert-ブトキシカルボニルアミノ)(1,3-ベンゾジオキソール-5-イル)メチル]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： C30H31NO8
Molecular formula furigana： C30-H31-N-O8
Molecular weight： 533.577
InChI： InChI=1S/C30H31NO8/c1-30(2,3)39-29(34)31-26(22-14-15-23-24(16-22)38-19-37-23)25(27(32)35-17-20-10-6-4-7-11-20)28(33)36-18-21-12-8-5-9-13-21/h4-16,25-26H,17-19H2,1-3H3,(H,31,34)/t26-/m1/s1
InChI key： FJGVWJUMVGPQLD-AREMUKBSSA-N
SMILES： CC(C)(C)OC(=O)N[C@@H](C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)c1ccc2OCOc2c1
Systematic name  (3)：
  • 2-[(S)-(tert-ブトキシカルボニルアミノ)(1,3-ベンゾジオキソール-5-イル)メチル]マロン酸ジベンジル
  • 1,3-ジベンジル 2-[(S)-(2H-1,3-ベンゾジオキソール-5-イル)({[(tert-ブトキシ)カルボニル]アミノ})メチル]プロパンジオアート
  • 1,3-dibenzyl 2-[(S)-(2H-1,3-benzodioxol-5-yl)({[(tert-butoxy)carbonyl]amino})methyl]propanedioate
Other name (1)：
  • 2-[(S)-(tert-Butoxycarbonylamino)(1,3-benzodioxole-5-yl)methyl]malonic acid dibenzyl ester
Thsaurus map：
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