N~6~-[(5β)-3,24-Dioxocholan-24-Yl]-L-Lysine

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Properties Simple | Detailed

Formula C30H50N2O4
IUPAC Name (2s)-2-amino-6-[[(4r)-4-[(5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid
Molecular Mass 502.729 g·mol−1
Heat of Formation -1083.8 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 661.54 Å 3
Surface Area 533.26 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 3.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-6-({(4r)-4-[(10r,13s)-10,13-dimethyl-3-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl}amino)hexanoic acid
  • (2s)-2-amino-6-[[(4r)-4-[(5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]hexanoic acid
  • (2s)-2-amino-6-[[(4r)-4-[(5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid
  • (2s)-2-amino-6-[[(4r)-4-[(5r,8r,9s,10s,13r,14s,17r)-3-keto-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid
  • uz9
InChIKey NZNFUUCLWNSFAF-HLKVRRRCSA-N
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