(2S)-2-[(3S)-3-Isobutyl-2,5-Dioxo-4-(3-Quinolinylmethyl)-1,4-Diazepan-1-Yl]-N-Methyl-3-(2-Naphthyl)Propanamide

Molecule SVG Image

Properties Simple | Detailed

Formula C33H36N4O3
IUPAC Name (2s)-2-[(3s)-3-isobutyl-2,5-dioxo-4-(3-quinolylmethyl)-1,4-diazepan-1-yl]-n-methyl-3-(2-naphthyl)propanamide
Molecular Mass 536.664 g·mol−1
Heat of Formation -285.0 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 665.75 Å 3
Surface Area 472.35 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(3s)-3-isobutyl-2,5-diketo-4-(3-quinolylmethyl)-1,4-diazepan-1-yl]-n-methyl-3-(2-naphthyl)propionamide
  • (2s)-2-[(3s)-3-isobutyl-2,5-dioxo-4-(3-quinolylmethyl)-1,4-diazepan-1-yl]-n-methyl-3-(2-naphthyl)propanamide
  • (2s)-n-methyl-2-[(3s)-3-(2-methylpropyl)-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-3-naphthalen-2-yl-propanamide
  • (2s)-n-methyl-2-[(3s)-3-(2-methylpropyl)-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-3-naphthalen-2-ylpropanamide
InChIKey COVPLULNDBDXTN-KYJUHHDHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N