N-{(2S)-1-[(2-Chlorobenzyl)Amino]-1-Oxo-4-Phenyl-2-Butanyl}-N~2~-[3-(2-Methylphenyl)Propanoyl]-L-Threoninamide

Molecule SVG Image

Properties Simple | Detailed

Formula C31H36ClN3O4
IUPAC Name (2s,3r)-n-[(1s)-1-[(2-chlorophenyl)methylcarbamoyl]-3-phenyl-propyl]-3-hydroxy-2-[3-(o-tolyl)propanoylamino]butanamide
Molecular Mass 550.088 g·mol−1
Heat of Formation -662.5 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 672.36 Å 3
Surface Area 563.82 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey PBDVPZRRBJJONI-RVBRUHEGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Cl O N