Chem
J-GLOBAL ID:200907013296267907   Nikkaji number:J1.124.619B

2-[[4-[[[(2-Amino-4-oxo-3,4-dihydropteridine)-6-yl]methyl]amino](1,2,3,4,5,6-12C6)benzoyl]amino](3,3,4,4-2H4)pentanedioic acid

2-[(4-{[(2-アミノ-4-オキソ-3,4-ジヒドロプテリジン-6-イル)メチル]アミノ}(1,2,3,4,5,6-12C6)フェニル)ホルムアミド](3,3,4,4-2H4)ペンタン二酸
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: C13[12C]6H15[2H]4N7O6
Molecular formula furigana: C19-H19-N7-O6
Molecular weight: 445.362
InChI: InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/i1+0,2+0,3+0,4+0,5D2,6D2,9+0,10+0
InChI key: OVBPIULPVIDEAO-SQNNKNNCSA-N
SMILES: C([2H])([2H])(C(NC(=O)[12c]1[12cH][12cH][12c](NCc2cnc3nc(N)[nH]c(=O)c3n2)[12cH][12cH]1)C(=O)O)C([2H])([2H])C(=O)O
Systematic name  (3):
  • 2-[[4-[[[(2-アミノ-4-オキソ-3,4-ジヒドロプテリジン)-6-イル]メチル]アミノ](1,2,3,4,5,6-12C6)ベンゾイル]アミノ](3,3,4,4-2H4)ペンタン二酸
  • 2-[(4-{[(2-アミノ-4-オキソ-3,4-ジヒドロプテリジン-6-イル)メチル]アミノ}(1,2,3,4,5,6-12C6)フェニル)ホルムアミド](3,3,4,4-2H4)ペンタン二酸
  • 2-[(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}(1,2,3,4,5,6-12C6)phenyl)formamido](3,3,4,4-2H4)pentanedioic acid
Other name (1):
  • 2-[[4-[[[(2-Amino-4-oxo-3,4-dihydropteridine)-6-yl]methyl]amino](1,2,3,4,5,6-12C6)benzoyl]amino](3,3,4,4-2H4)pentanedioic acid
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