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

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Properties Simple | Detailed

Formula C20H21N6O6+
IUPAC Name (2s)-2-[[4-[[(2-amino-4-oxo-pyrido[2,3-d]pyrimidin-1-ium-3-id-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
Molecular Mass 441.417 g·mol−1
Heat of Formation -780.6 ± 16.7 kJ·mol−1
Dipole Moment 4.68 ± 1.08 D
Volume 487.74 Å 3
Surface Area 445.29 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(2-amino-4-keto-1h-pyrido[5,6-e]pyrimidin-6-yl)amino]methyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[[(2-amino-4-oxo-1h-pyrido[5,6-e]pyrimidin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[[(2-amino-4-oxo-1h-pyrido[5,6-e]pyrimidin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[[(2-amino-4-oxo-1h-pyrido[5,6-e]pyrimidin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • 5-deazaisofolic acid
  • n-(4-(((2-amino-1,4-dihydro-4-oxopyrido(2,3-d)pyrimidin-6-yl)amino)methyl)benzoyl)-l-glutamic acid
CAS Number(s)
  • 130327-67-2
InChIKey AYDSBKMPDDZABS-AWEZNQCLSA-N
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