(5Z)-7-[(1S,2S,3S,5R)-3-{[(2R)-2-Cyclopentyl-2-Hydroxyacetyl]Amino}-6,6-Dimethylbicyclo[3.1.1]Hept-2-Yl]-5-Heptenoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C23H37NO4
IUPAC Name (z)-7-[(1s,2s,3s,5r)-3-[[(2r)-2-cyclopentyl-2-hydroxy-acetyl]amino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
Molecular Mass 391.544 g·mol−1
Heat of Formation -881.4 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 512.1 Å 3
Surface Area 385.12 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1s,2s,3s,5r)-3-[[(2r)-2-cyclopentyl-2-hydroxy-1-oxoethyl]amino]-6,6-dimethyl-2-norpinanyl]hept-5-enoic acid
  • (z)-7-[(1s,2s,3s,5r)-3-[[(2r)-2-cyclopentyl-2-hydroxy-acetyl]amino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
  • (z)-7-[(1s,2s,3s,5r)-3-[[(2r)-2-cyclopentyl-2-hydroxy-ethanoyl]amino]-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
  • (z)-7-[(1s,2s,3s,5r)-3-[[(2r)-2-cyclopentyl-2-hydroxyacetyl]amino]-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
  • 5-heptenoic acid, 7-((1s,2s,3s,5r)-3-(((2r)-cyclopentylhydroxyacetyl)amino)-6,6-dimethylbicyclo(3.1.1)hept-2-yl)-, (5z)-
  • 5-heptenoic acid, 7-(3-((cyclopentylhydroxyacetyl)amino)-6,6-dimethylbicyclo(3.1.1)hept-2-yl)-, (1s-(1-alpha,2-beta(z),3-alpha(s*),5-alpha))-
  • ono 3708
  • ono-3708
  • ono3708
CAS Number(s)
  • 102191-05-9
InChIKey SXHUZJPIRVLMHY-AZPSIHDESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N