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

Molecule SVG Image

Properties Simple | Detailed

Formula C31H31BrClN4O6P
IUPAC Name [3-[[2-[(2-amino-1-methyl-2-oxo-ethyl)amino]-1-methyl-2-oxo-ethyl]amino]-2-[[3-[4-(3-chlorophenyl)phenyl]isoxazol-5-yl]methyl]-3-oxo-propyl]-(4-bromophenyl)phosphinic acid
Molecular Mass 701.932 g·mol−1
Heat of Formation -810.2 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 750.2 Å 3
Surface Area 635.22 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey LIUMDGLYGBIKBM-SFYKDHMMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N P Br