N-{4-[(1S)-4-(2,4-Diamino-6-Oxo-1,6-Dihydro-5-Pyrimidinyl)-1-(Methylsulfanyl)Butyl]Benzoyl}-L-Glutamic Acid

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Formula C21H27N5O6S
IUPAC Name (2s)-2-[[4-[(1s)-4-(2,6-diamino-4-oxo-1h-pyrimidin-3-ium-5-yl)-1-methylsulfanyl-butyl]benzoyl]amino]pentanedioic acid
Molecular Mass 477.534 g·mol−1
Heat of Formation -1044.4 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 559.5 Å 3
Surface Area 483.57 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey GEZLAVXTPLTVRU-GJZGRUSLSA-N
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