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

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Formula C22H34N5O9P
IUPAC Name [4-[(2s)-2-[[(1s,2s)-1-[[(1s)-3-amino-1-carbamoyl-3-oxo-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-(methylamino)-4-oxo-butyl]phenyl] dihydrogen phosphate
Molecular Mass 543.507 g·mol−1
Heat of Formation -2081.7 ± 16.7 kJ·mol−1
Dipole Moment 9.90 ± 1.08 D
Volume 637.57 Å 3
Surface Area 503.93 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey UEYBGJJDTRNDGF-HAHWVIBASA-N
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