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

Molecule SVG Image

Properties Simple | Detailed

Formula C23H23N5O7
IUPAC Name (2s)-2-[[4-[acetyl-[(2-amino-4-oxo-quinazolin-1-ium-3-id-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid
Molecular Mass 481.458 g·mol−1
Heat of Formation -1032.9 ± 16.7 kJ·mol−1
Dipole Moment 9.70 ± 1.08 D
Volume 553.91 Å 3
Surface Area 454.61 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-ethanoyl-amino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[acetyl-[(2-amino-4-keto-1h-quinazolin-6-yl)methyl]amino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[acetyl-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[acetyl-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 10-acetyl-5,8-dideazafolic acid
  • l-glutamic acid, n-(4-(acetyl((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)amino)benzol)-
CAS Number(s)
  • 94843-77-3
InChIKey YSALQHPMBKCQDP-SFHVURJKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N