N-[4-(1,3-Diamino-7,8,9,10-Tetrahydropyrimido[4,5-C]Isoquinolin-8-Yl)Benzoyl]-L-Glutamic Acid

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Formula C23H25N6O5
IUPAC Name (2r)-2-[[4-[(8r)-1,3-diamino-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-2,4,5-triium-10b-id-8-yl]benzoyl]amino]pentanedioic acid
Molecular Mass 465.482 g·mol−1
Heat of Formation -605.9 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 525.65 Å 3
Surface Area 459.32 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
InChIKey TWQHKMFGGWXDNM-CJNGLKHVSA-N
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