2-({4-[1-(2-Amino-4-Oxo-3,4-Dihydro-6-Quinazolinyl)-3-Oxo-2-Propanyl]Benzoyl}Amino)Pentanedioate

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Properties Simple | Detailed

Formula C23H23N4O7+
IUPAC Name (2s)-2-[[4-[(1s)-1-[(2-amino-4-oxo-quinazolin-1-ium-3-id-6-yl)methyl]-2-oxo-ethyl]benzoyl]amino]pentanedioic acid
Molecular Mass 467.451 g·mol−1
Heat of Formation -997.4 ± 16.7 kJ·mol−1
Dipole Moment 11.04 ± 1.08 D
Volume 535.71 Å 3
Surface Area 443.25 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey QUTYGDYGQXUSRV-QAPCUYQASA-N
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