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

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Properties Simple | Detailed

Formula C20H21N6O6
IUPAC Name (2s)-2-[[4-[(2-amino-4-oxo-1h-pyrido[2,3-d]pyrimidine-3,8-diium-4a-id-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 441.417 g·mol−1
Heat of Formation -803.9 ± 16.7 kJ·mol−1
Dipole Moment 5.94 ± 1.08 D
Volume 492.45 Å 3
Surface Area 444.03 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2-amino-4-keto-1h-pyrido[5,6-e]pyrimidin-6-yl)methylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2-amino-4-oxo-1h-pyrido[5,6-e]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2-amino-4-oxo-1h-pyrido[5,6-e]pyrimidin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[(2-amino-4-oxo-1h-pyrido[5,6-e]pyrimidin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • dzf
InChIKey NFARHPAOOHOWAL-AWEZNQCLSA-N
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