Chem
J-GLOBAL ID：200907092850559297   Nikkaji number：J2.314.847A

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

2-[(S)-α-(tert-ブトキシカルボニルアミノ)-4-フルオロベンジル]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： C29H30FNO6
Molecular formula furigana： C29-H30-F-N-O6
Molecular weight： 507.558
InChI： InChI=1S/C29H30FNO6/c1-29(2,3)37-28(34)31-25(22-14-16-23(30)17-15-22)24(26(32)35-18-20-10-6-4-7-11-20)27(33)36-19-21-12-8-5-9-13-21/h4-17,24-25H,18-19H2,1-3H3,(H,31,34)/t25-/m1/s1
InChI key： HBYIDYDDHFMELT-RUZDIDTESA-N
SMILES： CC(C)(C)OC(=O)N[C@@H](C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)c1ccc(F)cc1
Systematic name  (3)：
  • 2-[(S)-α-(tert-ブトキシカルボニルアミノ)-4-フルオロベンジル]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-フルオロフェニル)メチル]プロパンジオアート
  • 1,3-dibenzyl 2-[(S)-{[(tert-butoxy)carbonyl]amino}(4-fluorophenyl)methyl]propanedioate
Other name (1)：
  • 2-[(S)-α-(tert-Butoxycarbonylamino)-4-fluorobenzyl]malonic acid dibenzyl ester
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