Chem
J-GLOBAL ID：200907041165101667   Nikkaji number：J1.912.707I

(S)-4-(Thymine-1-yl)-3-[[(tert-butoxycarbonylamino)acetyl]amino]butyric acid

(S)-4-(チミン-1-イル)-3-[[(tert-ブトキシカルボニルアミノ)アセチル]アミノ]酪酸
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： C16H24N4O7
Molecular formula furigana： C16-H24-N4-O7
Molecular weight： 384.389
InChI： InChI=1S/C16H24N4O7/c1-9-7-20(14(25)19-13(9)24)8-10(5-12(22)23)18-11(21)6-17-15(26)27-16(2,3)4/h7,10H,5-6,8H2,1-4H3,(H,17,26)(H,18,21)(H,22,23)(H,19,24,25)/t10-/m0/s1
InChI key： SDNAGRXOGVRDJS-JTQLQIEISA-N
SMILES： Cc1cn(C[C@H](CC(=O)O)NC(=O)CNC(=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)アセチル]アミノ]酪酸
  • (3S)-3-(2-{[(tert-ブトキシ)カルボニル]アミノ}アセトアミド)-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)ブタン酸
  • (3S)-3-(2-{[(tert-butoxy)carbonyl]amino}acetamido)-4-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)butanoic acid
Other name (1)：
  • (S)-4-(Thymine-1-yl)-3-[[(tert-butoxycarbonylamino)acetyl]amino]butyric acid
Thsaurus map：
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