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

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Properties Simple | Detailed

Formula C20H21N5O4
IUPAC Name 4-[[4-[(2-amino-4-oxo-quinazolin-3-ium-6-yl)methylamino]benzoyl]amino]butanoic acid
Molecular Mass 395.412 g·mol−1
Heat of Formation -512.0 ± 16.7 kJ·mol−1
Dipole Moment 7.00 ± 1.08 D
Volume 457.8 Å 3
Surface Area 423.4 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(4-{[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)methyl]amino}benzoyl)amino]butanoic acid
  • 4-[[4-[(2-amino-4-keto-1h-quinazolin-6-yl)methylamino]benzoyl]amino]butyric acid
  • 4-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methylamino]phenyl]carbonylamino]butanoic acid
  • 4-[[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methylamino]phenyl]-oxomethyl]amino]butanoic acid
  • dqb
InChIKey YOIMGYLREAGVGB-UHFFFAOYSA-N
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