N-(4-{[(2-Amino-4-Oxo-1,4,5,6,7,8-Hexahydro-6-Quinazolinyl)Methyl](2-Propyn-1-Yl)Amino}Benzoyl)Glutamic Acid

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Properties Simple | Detailed

Formula C24H28N5O6
IUPAC Name (2s)-2-[[4-[[(6r)-2-amino-4-hydroxy-5,6,7,8-tetrahydroquinazoline-1,3-diium-4a-id-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
Molecular Mass 482.509 g·mol−1
Heat of Formation -659.0 ± 16.7 kJ·mol−1
Dipole Moment 8.23 ± 1.08 D
Volume 566.1 Å 3
Surface Area 468.94 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey ZOLYPGWZGDQXCC-LIRRHRJNSA-N
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