N-(4-{[(2-Amino-4-Oxo-1,4-Dihydropyrido[3,2-D]Pyrimidin-6-Yl)Methyl]Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C20H20N6O6
IUPAC Name (2s)-2-[[4-[(2-amino-4-oxo-pyrido[3,2-d]pyrimidin-1-ium-3-id-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 440.409 g·mol−1
Heat of Formation -758.2 ± 16.7 kJ·mol−1
Dipole Moment 12.81 ± 1.08 D
Volume 490.39 Å 3
Surface Area 447.34 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2-amino-4-keto-1h-pyrido[6,5-e]pyrimidin-6-yl)methylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2-amino-4-oxo-1h-pyrido[6,5-e]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2-amino-4-oxo-1h-pyrido[6,5-e]pyrimidin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[(2-amino-4-oxo-1h-pyrido[6,5-e]pyrimidin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 8-deazafolic acid
  • l-glutamic acid, n-(4-(((2-amino-1,4-dihydro-4-oxopyrido(3,2-d)pyrimidin-6-yl)methyl)amino)benzoyl)-
InChIKey PEIIBFVUZRSFNO-AWEZNQCLSA-N
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