N-(4-{[(2-Amino-4-Oxo-1,4,5,6,7,8-Hexahydropyrido[3,2-D]Pyrimidin-6-Yl)Methyl]Amino}Benzoyl)Glutamic Acid

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Formula C20H25N6O6+
IUPAC Name (2s)-2-[[4-[[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-1-ium-3-id-6-yl]methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 445.449 g·mol−1
Heat of Formation -890.4 ± 16.7 kJ·mol−1
Dipole Moment 12.44 ± 1.08 D
Volume 505.03 Å 3
Surface Area 452.48 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
InChIKey HLQVKHILGYCUSU-OCCSQVGLSA-N
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