N~6~-{(2R)-1-[(1R,2R)-1-Carboxy-3-Hydroxy-2-Methylpropoxy]-1-Oxo-3-Sulfanyl-3-Buten-2-Yl}-6-Oxo-L-Lysine

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Properties Simple | Detailed

Formula C15H24N2O8S
IUPAC Name (2s)-2-amino-6-[[(1r)-1-[(1r,2r)-1-carboxy-3-hydroxy-2-methyl-propoxy]carbonyl-2-sulfanyl-allyl]amino]-6-oxo-hexanoic acid
Molecular Mass 392.425 g·mol−1
Heat of Formation -1494.7 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 462.88 Å 3
Surface Area 400.29 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-6-[[(1r)-1-[(1r,2r)-1-carboxy-3-hydroxy-2-methyl-propoxy]carbonyl-2-mercapto-prop-2-enyl]amino]-6-keto-hexanoic acid
  • (2s)-2-amino-6-[[(1r)-1-[(1r,2r)-1-carboxy-3-hydroxy-2-methyl-propoxy]carbonyl-2-sulfanyl-prop-2-enyl]amino]-6-oxo-hexanoic acid
  • (2s)-2-amino-6-[[(1r)-1-[[(1r,2r)-1-carboxy-3-hydroxy-2-methylpropoxy]-oxomethyl]-2-mercaptoprop-2-enyl]amino]-6-oxohexanoic acid
  • (2s)-2-amino-6-[[(2r)-1-[(2r,3r)-1,4-dihydroxy-3-methyl-1-oxo-butan-2-yl]oxy-1-oxo-3-sulfanyl-but-3-en-2-yl]amino]-6-oxo-hexanoic acid
  • (2s)-2-amino-6-[[(2r)-1-[(2r,3r)-1,4-dihydroxy-3-methyl-1-oxobutan-2-yl]oxy-1-oxo-3-sulfanylbut-3-en-2-yl]amino]-6-oxohexanoic acid
  • n~6~-[(1r)-1-({[(1r,2r)-1-carboxy-3-hydroxy-2-methylpropyl]oxy}carbonyl)-2-mercaptoprop-2-en-1-yl]-6-oxo-l-lysine
InChIKey FZALWIBTYQBPKC-NYBSVBNRSA-N
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