N~6~-[(3α,5Beta)-3-Hydroxy-24-Oxocholan-24-Yl]-L-Lysine

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Properties Simple | Detailed

Formula C26H18N2O4
IUPAC Name n-ethyl-4-[(6z)-2-methylene-5-oxo-15-(oxomethylene)-14-bicyclo[8.7.0]heptadeca-6,8,9-trien-3,11,16-triynyl]pent-4-en-2-ynamide; nitroxyl
Molecular Mass 422.432 g·mol−1
Heat of Formation -1128.1 ± 16.7 kJ·mol−1
Dipole Moment 6.61 ± 1.08 D
Volume 666.42 Å 3
Surface Area 539.12 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-6-[[(4r)-4-[(3r,5r,8r,9s,10s,13r,14s,17r)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]hexanoic acid
  • (2s)-2-amino-6-[[(4r)-4-[(3r,5r,8r,9s,10s,13r,14s,17r)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid
  • l-lysine, n6-((3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl)-
  • lithocholyl-epsilon-l-lysine
  • n-epsilon-lithocholyllysine
CAS Number(s)
  • 65236-49-9
InChIKey SOAQBBCJNVBHNR-FGUUPDTHSA-N
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