Chem
J-GLOBAL ID：200907050295291092   Nikkaji number：J827.629C

(S)-2-[(2,4-Dioxo-1,2,3,4-tetrahydroquinazolin)-3-yl](2-13C)isovaleric acid

(S)-2-[(2,4-ジオキソ-1,2,3,4-テトラヒドロキナゾリン)-3-イル](2-13C)イソ吉草酸
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： C12[13C]H14N2O4
Molecular formula furigana： C13-H14-N2-O4
Molecular weight： 263.257
InChI： InChI=1S/C13H14N2O4/c1-7(2)10(12(17)18)15-11(16)8-5-3-4-6-9(8)14-13(15)19/h3-7,10H,1-2H3,(H,14,19)(H,17,18)/t10-/m0/s1/i10+1
InChI key： GTABHFQMNVOXIO-DSYFOVALSA-N
SMILES： CC(C)[13C@@H](C(=O)O)n1c(=O)[nH]c2ccccc2c1=O
Systematic name  (3)：
  • (S)-2-[(2,4-ジオキソ-1,2,3,4-テトラヒドロキナゾリン)-3-イル](2-13C)イソ吉草酸
  • (2S)-2-(2,4-ジオキソ-1,2,3,4-テトラヒドロキナゾリン-3-イル)-3-メチル(2-13C)ブタン酸
  • (2S)-2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-3-methyl(2-13C)butanoic acid
Other name (1)：
  • (S)-2-[(2,4-Dioxo-1,2,3,4-tetrahydroquinazolin)-3-yl](2-13C)isovaleric acid
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