N~6~-[(2R)-1-{[(1R)-1-Carboxy-2-Methyl-2-Propen-1-Yl]Amino}-1-Oxo-3-Sulfanyl-2-Propanyl]-6-Oxo-L-Lysine

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Properties Simple | Detailed

Formula C14H23N3O6S
IUPAC Name (2s)-2-amino-6-[[(1r)-2-[[(1r)-1-carboxy-2-methyl-allyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
Molecular Mass 361.414 g·mol−1
Heat of Formation -1139.8 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 432.65 Å 3
Surface Area 376.37 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • d-(l-a-aminoadipoyl)-l-cysteinyl-d-isodehydrovaline
InChIKey BGZJEMYSINIAHS-ATZCPNFKSA-N
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