N-(4-{[(2-Amino-5-Chloro-4-Oxo-1,4-Dihydro-6-Quinazolinyl)Amino]Methyl}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C21H21ClN5O6+
IUPAC Name (2s)-2-[[4-[[(2-amino-5-chloro-4-oxo-quinazolin-1-ium-3-id-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
Molecular Mass 474.874 g·mol−1
Heat of Formation -848.2 ± 16.7 kJ·mol−1
Dipole Moment 8.84 ± 1.08 D
Volume 515.2 Å 3
Surface Area 456.48 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(2-amino-5-chloro-4-keto-1h-quinazolin-6-yl)amino]methyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[[(2-amino-5-chloro-4-oxo-1h-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[[(2-amino-5-chloro-4-oxo-1h-quinazolin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[[(2-amino-5-chloro-4-oxo-1h-quinazolin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • 5-cddifa
  • 5-chloro-5,8-dideazaisofolic acid
  • l-glutamic acid, n-(4-(((2-amino-5-chloro-1,4-dihydro-4-oxo-6-quinazolinyl)aino)methyl)benzol)-
CAS Number(s)
  • 102743-78-2
InChIKey GBFUWHPCXNMVFC-AWEZNQCLSA-N
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