N~2~-({(1R,2R,3S)-2-(Methylcarbamoyl)-3-[4-(Phosphonooxy)Phenyl]Cyclopropyl}Carbonyl)-L-Glutaminyl-L-Aspartamide

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Formula C21H29N6O10P
IUPAC Name [4-[(1s,2r,3r)-2-[[(1s)-4-amino-1-[[(1s)-3-amino-1-carbamoyl-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-(methylcarbamoyl)cyclopropyl]phenyl] dihydrogen phosphate
Molecular Mass 556.463 g·mol−1
Heat of Formation -2050.7 ± 16.7 kJ·mol−1
Dipole Moment 0.87 ± 1.08 D
Volume 623.08 Å 3
Surface Area 538.05 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
InChIKey RYXSIJXAOLAGQV-PASATYPHSA-N
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