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

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Properties Simple | Detailed

Formula C14H22N2O8S
IUPAC Name (2s)-2-amino-6-[[(1r)-1-[(1r)-1-carboxy-2-methyl-propoxy]carbonyl-2-oxo-2-sulfanyl-ethyl]amino]-6-oxo-hexanoic acid
Molecular Mass 378.398 g·mol−1
Heat of Formation -1535.7 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 444.03 Å 3
Surface Area 351.6 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-6-[[(1r)-1-[(1r)-1-carboxy-2-methyl-propoxy]carbonyl-2-keto-2-mercapto-ethyl]amino]-6-keto-hexanoic acid
  • (2s)-2-amino-6-[[(1r)-1-[(1r)-1-carboxy-2-methyl-propoxy]carbonyl-2-oxo-2-sulfanyl-ethyl]amino]-6-oxo-hexanoic acid
  • (2s)-2-amino-6-[[(1r)-1-[[(1r)-1-carboxy-2-methylpropoxy]-oxomethyl]-2-mercapto-2-oxoethyl]amino]-6-oxohexanoic acid
  • (2s)-2-amino-6-[[(2r)-1-[(2r)-1-hydroxy-3-methyl-1-oxo-butan-2-yl]oxy-1,3-dioxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid
  • (2s)-2-amino-6-[[(2r)-1-[(2r)-1-hydroxy-3-methyl-1-oxobutan-2-yl]oxy-1,3-dioxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid
  • l-d-(a-aminoadipoyl)-l-(b-oxo)-cysteine
  • n6-[(1s)-2-{[(1r)-1-carboxy-2-methylpropyl]oxy}-1-(mercaptocarbonyl)-2-oxoethyl]-6-oxo-l-lysine
  • scv
InChIKey INECXHJFYVKZHW-FXBDTBDDSA-N
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