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

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Formula C20H28N7O4+
IUPAC Name (2s)-5-amino-2-[[4-[[(6s)-2-amino-4-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-1-ium-3-id-6-yl]methylamino]benzoyl]amino]pentanoic acid
Molecular Mass 430.481 g·mol−1
Heat of Formation -516.6 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 503.44 Å 3
Surface Area 454.85 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey YYXQTKSKWJEYRP-NHYWBVRUSA-N
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