Methyl N-[(2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-Hexadecatetraenoyl]-L-Cysteinate

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Properties Simple | Detailed

Formula C24H39NO3S
IUPAC Name methyl (2r)-3-sulfanyl-2-[[(2e,6e,10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propanoate
Molecular Mass 421.636 g·mol−1
Heat of Formation -657.1 ± 16.7 kJ·mol−1
Dipole Moment 1.37 ± 1.08 D
Volume 582.88 Å 3
Surface Area 416.06 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-3-mercapto-2-[[(2e,6e,10e)-3,7,11,15-tetramethyl-1-oxohexadeca-2,6,10,14-tetraenyl]amino]propanoic acid methyl ester
  • (2r)-3-mercapto-2-[[(2e,6e,10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propionic acid methyl ester
  • geranylgeranylcysteine methyl ester
  • gg-cysteine me
  • l-cysteine, n-(3,7,11,15-tetramethyl-1-oxo-2,6,10,14-hexadecatetraenyl)-, methyl ester
  • methyl (2r)-3-sulfanyl-2-[[(2e,6e,10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propanoate
  • n-(3,7,11,15-tetramethyl-1-oxo-2,6,10,14-hexadecatetraenyl)-l-cysteine methyl ester
CAS Number(s)
  • 130413-80-8
InChIKey ZNBOHOMJUHCPNY-YXJPSSCMSA-N
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