N~1~-{(2S,3S,5S)-1-Cyclohexyl-5-[(2,2-Dimethylpropyl)Carbamoyl]-3-Hydroxy-6-Methyl-2-Heptanyl}-N~2~-(2-Quinolinylcarbonyl)-L-Aspartamide

Molecule SVG Image

Properties Simple | Detailed

Formula C34H51N5O5
IUPAC Name (2s)-n-[(1s,2s,4s)-1-(cyclohexylmethyl)-4-(2,2-dimethylpropylcarbamoyl)-2-hydroxy-5-methyl-hexyl]-2-(quinoline-2-carbonylamino)butanediamide
Molecular Mass 609.799 g·mol−1
Heat of Formation -1125.1 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 772.87 Å 3
Surface Area 608.52 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
InChIKey YFPJVAMWHSOWMB-JSRHHAARSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N