N-(4-{[(4-Oxo-1,4-Dihydro-6-Quinazolinyl)Methyl]Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C21H20N4O6
IUPAC Name (2s)-2-[[4-[(4-oxo-1h-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 424.407 g·mol−1
Heat of Formation -830.6 ± 16.7 kJ·mol−1
Dipole Moment 9.91 ± 1.08 D
Volume 483.82 Å 3
Surface Area 434.23 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(4-keto-1h-quinazolin-6-yl)methylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(4-oxo-1h-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(4-oxo-1h-quinazolin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[oxo-[4-[(4-oxo-1h-quinazolin-6-yl)methylamino]phenyl]methyl]amino]pentanedioic acid
  • 2-desamino-5,8-dideazafolic acid
CAS Number(s)
  • 106585-70-0
InChIKey CSROEJXVRAZBAD-KRWDZBQOSA-N
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