N-(4-{[(4-Hydroxy-2-Methylquinazolin-6-Yl)Methyl]Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C22H22N4O6
IUPAC Name (2s)-2-[[4-[(2-methyl-4-oxo-1h-quinazolin-3-ium-6-yl)methylamino]benzoyl]amino]pentanedioate
Molecular Mass 438.433 g·mol−1
Heat of Formation -919.3 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 503.22 Å 3
Surface Area 452.96 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2-methyl-4-oxo-1h-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2-methyl-4-oxo-1h-quinazolin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(4-keto-2-methyl-1h-quinazolin-6-yl)methylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[[4-[(2-methyl-4-oxo-1h-quinazolin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 2-deamino-2-methyl-5,8-dideazaisofolic acid
  • 2-desamino-2-methyl-5,8-dideazaisofolic acid
  • ds-m-iahq
  • l-glutamic acid, n-(4-(((1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)amino)benzoyl)-
CAS Number(s)
  • 112887-79-3
InChIKey XNMGBFXZWCNZAA-SFHVURJKSA-N
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