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

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Properties Simple | Detailed

Formula C15H26N2O7S
IUPAC Name (2s)-2-amino-6-[[(1r,2r)-1-[(1r)-1-carboxy-2-methyl-propoxy]carbonyl-2-sulfanyl-propyl]amino]-6-oxo-hexanoic acid
Molecular Mass 378.441 g·mol−1
Heat of Formation -1432.0 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 452.52 Å 3
Surface Area 391.25 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-6-[[(1r,2r)-1-[(1r)-1-carboxy-2-methyl-propoxy]carbonyl-2-mercapto-propyl]amino]-6-keto-hexanoic acid
  • (2s)-2-amino-6-[[(1r,2r)-1-[(1r)-1-carboxy-2-methyl-propoxy]carbonyl-2-sulfanyl-propyl]amino]-6-oxo-hexanoic acid
  • (2s)-2-amino-6-[[(1r,2r)-1-[[(1r)-1-carboxy-2-methylpropoxy]-oxomethyl]-2-mercaptopropyl]amino]-6-oxohexanoic acid
  • (2s)-2-amino-6-[[(2r,3r)-1-[(2r)-1-hydroxy-3-methyl-1-oxo-butan-2-yl]oxy-1-oxo-3-sulfanyl-butan-2-yl]amino]-6-oxo-hexanoic acid
  • (2s)-2-amino-6-[[(2r,3r)-1-[(2r)-1-hydroxy-3-methyl-1-oxobutan-2-yl]oxy-1-oxo-3-sulfanylbutan-2-yl]amino]-6-oxohexanoic acid
  • mdz
  • n~6~-methyl-6-oxo-l-lysine - 2-[(3-mercaptobutanoyl)oxy]-3-methylbutanoic acid
InChIKey SEWFXDOLNMAGTP-LLHIFLOGSA-N
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