(3S)-1-{(2S)-2-Cyclohexyl-2-[(N-Methyl-L-Alanyl)Amino]Acetyl}-3-Methyl-N-[2-(2-Pyrimidinyl)Phenyl]-L-Prolinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C28H38N6O3
IUPAC Name (2s,3s)-1-[(2s)-2-cyclohexyl-2-[[(2s)-2-(methylamino)propanoyl]amino]acetyl]-3-methyl-n-(2-pyrimidin-2-ylphenyl)pyrrolidine-2-carboxamide
Molecular Mass 506.640 g·mol−1
Heat of Formation -428.9 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 635.04 Å 3
Surface Area 513.58 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey HNXBUVYVPBCESY-WJNSRDFLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N