Chem
J-GLOBAL ID：200907030797443022   Nikkaji number：J1.912.703F

(S)-4-(Thymine-1-yl)-3-(tert-butoxycarbonylamino)butyric acid benzyl ester

(S)-4-(チミン-1-イル)-3-(tert-ブトキシカルボニルアミノ)酪酸ベンジル
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： C21H27N3O6
Molecular formula furigana： C21-H27-N3-O6
Molecular weight： 417.462
InChI： InChI=1S/C21H27N3O6/c1-14-11-24(19(27)23-18(14)26)12-16(22-20(28)30-21(2,3)4)10-17(25)29-13-15-8-6-5-7-9-15/h5-9,11,16H,10,12-13H2,1-4H3,(H,22,28)(H,23,26,27)/t16-/m0/s1
InChI key： DQAPIYQFPRMODD-INIZCTEOSA-N
SMILES： Cc1cn(C[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c(=O)[nH]c1=O
Systematic name  (3)：
  • (S)-4-(チミン-1-イル)-3-(tert-ブトキシカルボニルアミノ)酪酸ベンジル
  • ベンジル (3S)-3-{[(tert-ブトキシ)カルボニル]アミノ}-4-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)ブタノアート
  • benzyl (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)butanoate
Other name (1)：
  • (S)-4-(Thymine-1-yl)-3-(tert-butoxycarbonylamino)butyric acid benzyl ester
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