N-(6-Hydroxy-3,4-Dioxo-5-{[(1R,2S,4As,8As)-1,2,4A,5-Tetramethyl-1,2,3,4,4A,7,8,8A-Octahydro-1-Naphthalenyl]Methyl}-1,5-Cyclohexadien-1-Yl)-L-Serine

Molecule SVG Image

Properties Simple | Detailed

Formula C24H33NO6
IUPAC Name (2s)-2-[[5-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-hydroxy-3,4-dioxo-cyclohexa-1,5-dien-1-yl]amino]-3-hydroxy-propanoic acid
Molecular Mass 431.522 g·mol−1
Heat of Formation -1039.1 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 523.46 Å 3
Surface Area 369.29 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[5-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-hydroxy-3,4-diketo-1-cyclohexa-1,5-dienyl]amino]-3-hydroxy-propionic acid
  • (2s)-2-[[5-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-hydroxy-3,4-dioxo-1-cyclohexa-1,5-dienyl]amino]-3-hydroxy-propanoic acid
  • (2s)-2-[[5-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-hydroxy-3,4-dioxo-1-cyclohexa-1,5-dienyl]amino]-3-hydroxypropanoic acid
InChIKey RIHVEJOGUIBAQW-IAOVCDLUSA-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