N-[(3S,4S,7S,11R)-11-Hydroxy-7-Isobutyl-3-Isopropyl-5,8-Dioxo-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(14),12,15-Trien-4-Yl]-Nalpha,Nalpha-Dimethyl-L-Phenylalaninamide

Molecule SVG Image

Properties Simple | Detailed

Formula C31H44N4O5
IUPAC Name (2s)-2-(dimethylamino)-n-[(3s,4s,7s,11r)-11-hydroxy-7-isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),12(16),13-trien-4-yl]-3-phenyl-propanamide
Molecular Mass 552.705 g·mol−1
Heat of Formation -898.9 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 710.15 Å 3
Surface Area 507.43 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-dimethylamino-n-[(3s,4s,7s,11r)-11-hydroxy-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),12(16),13-trien-4-yl]-3-phenyl-propanamide
  • (2s)-2-dimethylamino-n-[(3s,4s,7s,11r)-11-hydroxy-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),12(16),13-trien-4-yl]-3-phenylpropanamide
  • (2s)-2-dimethylamino-n-[(3s,4s,7s,11r)-11-hydroxy-7-isobutyl-3-isopropyl-5,8-diketo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),12(16),13-trien-4-yl]-3-phenyl-propionamide
  • (2s)-2-dimethylamino-n-[(3s,4s,7s,11r)-11-hydroxy-7-isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),12(16),13-trien-4-yl]-3-phenyl-propanamide
  • (2s)-2-dimethylamino-n-[(3s,4s,7s,11r)-11-hydroxy-7-isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),12(16),13-trien-4-yl]-3-phenylpropanamide
InChIKey HEBPXDNWUOXIPK-XLIKFSOKSA-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