Chem
J-GLOBAL ID：200907052685918331   Nikkaji number：J2.314.859E

2-[(S)-(tert-Butoxycarbonylamino)(2-thienyl)methyl]malonic acid dibenzyl ester

2-[(S)-(tert-ブトキシカルボニルアミノ)(2-チエニル)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： C27H29NO6S
Molecular formula furigana： C27-H29-N-O6-S
Molecular weight： 495.590
InChI： InChI=1S/C27H29NO6S/c1-27(2,3)34-26(31)28-23(21-15-10-16-35-21)22(24(29)32-17-19-11-6-4-7-12-19)25(30)33-18-20-13-8-5-9-14-20/h4-16,22-23H,17-18H2,1-3H3,(H,28,31)/t23-/m1/s1
InChI key： SSNFIAUONIPMMD-HSZRJFAPSA-N
SMILES： CC(C)(C)OC(=O)N[C@@H](C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)c1cccs1
Systematic name  (3)：
  • 2-[(S)-(tert-ブトキシカルボニルアミノ)(2-チエニル)メチル]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}(チオフェン-2-イル)メチル]プロパンジオアート
  • 1,3-dibenzyl 2-[(S)-{[(tert-butoxy)carbonyl]amino}(thiophen-2-yl)methyl]propanedioate
Other name (1)：
  • 2-[(S)-(tert-Butoxycarbonylamino)(2-thienyl)methyl]malonic acid dibenzyl ester
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