Benzyl L-Alanyl-2-Cyano-3-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Prolinate

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Formula C21H27N3O5
IUPAC Name o2-benzyl o3-tert-butyl (2r,3r)-1-[(2s)-2-aminopropanoyl]-2-cyano-pyrrolidine-2,3-dicarboxylate
Molecular Mass 401.456 g·mol−1
Heat of Formation -761.8 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 483.71 Å 3
Surface Area 361.39 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
InChIKey SHFUZTLXAWLVAB-HTZUNMPGSA-N
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