N-Acetyl-S-Allyl-L-Cysteine

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Properties Simple | Detailed

Formula C8H13NO3S
IUPAC Name (2r)-2-acetamido-3-allylsulfanyl-propanoic acid
Molecular Mass 203.259 g·mol−1
Heat of Formation -543.7 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 244.98 Å 3
Surface Area 222.0 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-(allylthio)propanoic acid
  • (2r)-2-acetamido-3-(allylthio)propionic acid
  • (2r)-2-acetamido-3-allylsulfanyl-propanoic acid
  • (2r)-2-acetamido-3-prop-2-enylsulfanyl-propanoic acid
  • (2r)-2-acetamido-3-prop-2-enylsulfanylpropanoic acid
  • l-cysteine, n-acetyl-s-2-propenyl-
  • n-acetyl-s-allylcysteine
CAS Number(s)
  • 23127-20-0
  • 23127-41-5
InChIKey LKRAEHUDIUJBSF-ZETCQYMHSA-N
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