Chem
J-GLOBAL ID：200907039373382276   Nikkaji number：J2.314.853F

2-[(S)-α-(tert-Butoxycarbonylamino)-4-(trifluoromethyl)benzyl]malonic acid dibenzyl ester

2-[(S)-α-(tert-ブトキシカルボニルアミノ)-4-(トリフルオロメチル)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： C30H30F3NO6
Molecular formula furigana： C30-H30-F3-N-O6
Molecular weight： 557.566
InChI： InChI=1S/C30H30F3NO6/c1-29(2,3)40-28(37)34-25(22-14-16-23(17-15-22)30(31,32)33)24(26(35)38-18-20-10-6-4-7-11-20)27(36)39-19-21-12-8-5-9-13-21/h4-17,24-25H,18-19H2,1-3H3,(H,34,37)/t25-/m1/s1
InChI key： NTEDXWCCERBHPJ-RUZDIDTESA-N
SMILES： CC(C)(C)OC(=O)N[C@@H](C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)c1ccc(cc1)C(F)(F)F
Systematic name  (3)：
  • 2-[(S)-α-(tert-ブトキシカルボニルアミノ)-4-(トリフルオロメチル)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}[4-(トリフルオロメチル)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}[4-(trifluoromethyl)phenyl]methyl]propanedioate
Other name (1)：
  • 2-[(S)-α-(tert-Butoxycarbonylamino)-4-(trifluoromethyl)benzyl]malonic acid dibenzyl ester
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