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

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Properties Simple | Detailed

Formula C21H21N5O6
IUPAC Name (2s)-2-[[4-[2-(2-amino-4-oxo-1h-pyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]amino]pentanedioic acid
Molecular Mass 439.421 g·mol−1
Heat of Formation -858.1 ± 16.7 kJ·mol−1
Dipole Moment 8.94 ± 1.08 D
Volume 515.06 Å 3
Surface Area 420.08 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[2-(2-amino-4-keto-1h-pyrido[5,6-e]pyrimidin-6-yl)ethyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[2-(2-amino-4-oxo-1h-pyrido[5,6-e]pyrimidin-6-yl)ethyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[2-(2-amino-4-oxo-1h-pyrido[5,6-e]pyrimidin-6-yl)ethyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[2-(2-amino-4-oxo-1h-pyrido[5,6-e]pyrimidin-6-yl)ethyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • 5,10-dideazafolic acid
CAS Number(s)
  • 85597-18-8
InChIKey BHDZQFSNQPIPGI-HNNXBMFYSA-N
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