N~2~-{(2R)-4-(Methylamino)-4-Oxo-2-[4-(Phosphonooxy)Benzyl]Butanoyl}-L-Glutaminyl-L-Aspartamide

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Formula C21H31N6O10P
IUPAC Name [4-[(2r)-2-[[(1s)-4-amino-1-[[(1s)-3-amino-1-carbamoyl-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-4-(methylamino)-4-oxo-butyl]phenyl] dihydrogen phosphate
Molecular Mass 558.479 g·mol−1
Heat of Formation -2217.5 ± 16.7 kJ·mol−1
Dipole Moment 8.79 ± 1.08 D
Volume 630.88 Å 3
Surface Area 519.77 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
InChIKey KWOJJSIJYPOAJI-SNPRPXQTSA-N
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