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

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Properties Simple | Detailed

Formula C20H28N7O4+
IUPAC Name (2s)-5-amino-2-[[4-[[(6r)-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 -518.7 ± 16.7 kJ·mol−1
Dipole Moment 7.51 ± 1.08 D
Volume 506.92 Å 3
Surface Area 455.26 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
InChIKey YYXQTKSKWJEYRP-ABAIWWIYSA-N
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