N-(4-{[(2-Amino-4-Hydroxyquinazolin-6-Yl)Methyl](Prop-2-Yn-1-Yl)Amino}Benzoyl)-D-Glutamic Acid

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Properties Simple | Detailed

Formula C24H24N5O6+
IUPAC Name (2r)-2-[[4-[(2-amino-4-oxo-quinazolin-1-ium-3-id-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
Molecular Mass 478.477 g·mol−1
Heat of Formation -593.1 ± 16.7 kJ·mol−1
Dipole Moment 5.66 ± 1.08 D
Volume 551.77 Å 3
Surface Area 458.21 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[4-[(2-amino-4-keto-1h-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid
  • (2r)-2-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
  • (2r)-2-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid
  • (2r)-2-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
  • (2r)-2-[[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid
InChIKey LTKHPMDRMUCUEB-LJQANCHMSA-N
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