N-(4-{[(2-Amino-4-Oxo-1,4-Dihydro-6-Quinazolinyl)Amino]Methyl}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C21H21N5O6
IUPAC Name (2s)-2-[[4-[[(2-amino-4-oxo-1h-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
Molecular Mass 439.421 g·mol−1
Heat of Formation -819.3 ± 16.7 kJ·mol−1
Dipole Moment 7.19 ± 1.08 D
Volume 493.81 Å 3
Surface Area 447.27 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(2-amino-4-keto-1h-quinazolin-6-yl)amino]methyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[[(2-amino-4-oxo-1h-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[[(2-amino-4-oxo-1h-quinazolin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[[(2-amino-4-oxo-1h-quinazolin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • 5,8-dideazaisofolic acid
  • 5,8-dideazaisopteroylglutamate
  • iahq
  • l-glutamic acid, n-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)amino)methyl)benzoyl)-
InChIKey MXBUWHDMZGKTHK-INIZCTEOSA-N
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