N-{(2S)-3-[(4-Bromophenyl)(Hydroxy)Phosphoryl]-2-[(3-Phenyl-1,2-Oxazol-5-Yl)Methyl]Propanoyl}-L-Alanyl-L-Alaninamide

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Properties Simple | Detailed

Formula C25H28BrN4O6P
IUPAC Name [3-[[2-[(2-amino-1-methyl-2-oxo-ethyl)amino]-1-methyl-2-oxo-ethyl]amino]-3-oxo-2-[(3-phenylisoxazol-5-yl)methyl]propyl]-(4-bromophenyl)phosphinic acid
Molecular Mass 591.391 g·mol−1
Heat of Formation -842.8 ± 16.7 kJ·mol−1
Dipole Moment 6.89 ± 1.08 D
Volume 639.39 Å 3
Surface Area 550.88 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
InChIKey HXHLWPVBBLIGJV-XYJFISCASA-N
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Elements C H O N P Br