5-Thioxo-L-Prolyl-L-Cysteine

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Properties Simple | Detailed

Formula C8H12N2O3S2
IUPAC Name (2r)-3-sulfanyl-2-[[(2s)-5-thioxopyrrolidine-2-carbonyl]amino]propanoic acid
Molecular Mass 248.322 g·mol−1
Heat of Formation -482.6 ± 16.7 kJ·mol−1
Dipole Moment 5.83 ± 1.08 D
Volume 283.55 Å 3
Surface Area 257.93 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-3-mercapto-2-[[(2s)-5-thioxopyrrolidine-2-carbonyl]amino]propionic acid
  • (2r)-3-mercapto-2-[[oxo-[(2s)-5-thioxo-2-pyrrolidinyl]methyl]amino]propanoic acid
  • (2r)-3-sulfanyl-2-[[(2s)-5-sulfanylidenepyrrolidin-2-yl]carbonylamino]propanoic acid
  • (2r)-3-sulfanyl-2-[[(2s)-5-sulfanylidenepyrrolidine-2-carbonyl]amino]propanoic acid
  • (2r)-3-sulfanyl-2-[[(2s)-5-thioxopyrrolidine-2-carbonyl]amino]propanoic acid
InChIKey GRRYKTAZNOFTOA-WHFBIAKZSA-N
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