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

Molecule SVG Image

Properties Simple | Detailed

Formula C21H24N6O4
IUPAC Name (2s)-5-amino-2-[[4-[(2-amino-4-oxo-quinazolin-1-ium-3-id-6-yl)methylamino]benzoyl]amino]pentanoic acid
Molecular Mass 424.453 g·mol−1
Heat of Formation -454.0 ± 16.7 kJ·mol−1
Dipole Moment 12.23 ± 1.08 D
Volume 497.79 Å 3
Surface Area 450.58 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-amino-2-[[4-[(2-amino-4-keto-1h-quinazolin-6-yl)methylamino]benzoyl]amino]valeric acid
  • (2s)-5-amino-2-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methylamino]benzoyl]amino]pentanoic acid
  • (2s)-5-amino-2-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methylamino]phenyl]carbonylamino]pentanoic acid
  • (2s)-5-amino-2-[[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanoic acid
  • 5,8-dideazapteroylornithine
  • ddpo
  • l-ornithine, n2-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)amino)benzoyl)-
CAS Number(s)
  • 118675-83-5
InChIKey XXHSFOMKJAVUID-KRWDZBQOSA-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