N-(5-Oxopentanoyl)-L-Phenylalanyl-N-[(1R)-4,4-Dibromo-1-(Dihydroxyboryl)Butyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C23H32BBr2N3O6
IUPAC Name [(1r)-4,4-dibromo-1-[[(2s)-1-[(2s)-2-(5-oxopentanoylamino)-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]butyl]boronic acid
Molecular Mass 617.136 g·mol−1
Heat of Formation -1321.2 ± 16.7 kJ·mol−1
Dipole Moment 10.45 ± 1.08 D
Volume 644.85 Å 3
Surface Area 534.93 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey UBBUVYGQLRDKJX-FHWLQOOXSA-N
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Elements C B H O N Br