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

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Formula C13H22N2O7S2
IUPAC Name (2s)-2-amino-6-[[(1r)-2-[(1r)-1-carboxy-2-methylsulfanyl-ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
Molecular Mass 382.453 g·mol−1
Heat of Formation -1326.6 ± 16.7 kJ·mol−1
Dipole Moment 7.29 ± 1.08 D
Volume 440.74 Å 3
Surface Area 393.61 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
InChIKey ZBJXRZZOCYDPEK-CIUDSAMLSA-N
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