Chem
J-GLOBAL ID：200907060228050310   Nikkaji number：J1.784.643D

N-[4-[[(2-Amino-4-hydroxy-5-formyl-5,6,7,8-tetrahydropteridine-6-yl)methyl]amino](2,3,5,6-2H4)benzoyl]-L-glutamic acid

N-[4-[[(2-アミノ-4-ヒドロキシ-5-ホルミル-5,6,7,8-テトラヒドロプテリジン-6-イル)メチル]アミノ](2,3,5,6-2H4)ベンゾイル]-L-グルタミン酸
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： C20H19[2H]4N7O7
Molecular formula furigana： C20-H23-N7-O7
Molecular weight： 477.470
InChI： InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1/i1D,2D,3D,4D
InChI key： VVIAGPKUTFNRDU-OSHWYOOXSA-N
SMILES： c1([2H])c([2H])c(c([2H])c([2H])c1NCC1CNc2nc(N)nc(O)c2N1C=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Systematic name  (3)：
  • N-[4-[[(2-アミノ-4-ヒドロキシ-5-ホルミル-5,6,7,8-テトラヒドロプテリジン-6-イル)メチル]アミノ](2,3,5,6-2H4)ベンゾイル]-L-グルタミン酸
  • (2S)-2-[(4-{[(2-アミノ-5-ホルミル-4-ヒドロキシ-5,6,7,8-テトラヒドロプテリジン-6-イル)メチル]アミノ}(2,3,5,6-2H4)フェニル)ホルムアミド]ペンタン二酸
  • (2S)-2-[(4-{[(2-amino-5-formyl-4-hydroxy-5,6,7,8-tetrahydropteridin-6-yl)methyl]amino}(2,3,5,6-2H4)phenyl)formamido]pentanedioic acid
Other name (1)：
  • N-[4-[[(2-Amino-4-hydroxy-5-formyl-5,6,7,8-tetrahydropteridine-6-yl)methyl]amino](2,3,5,6-2H4)benzoyl]-L-glutamic acid
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