N-Acetyl-S-(2-Carboxyethyl)-L-Cysteine

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Properties Simple | Detailed

Formula C8H13NO5S
IUPAC Name (2r)-2-acetamido-3-(2-carboxyethylsulfanyl)propanoic acid
Molecular Mass 235.258 g·mol−1
Heat of Formation -990.5 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 270.21 Å 3
Surface Area 258.75 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-(2-carboxyethylsulfanyl)propanoic acid
  • (2r)-2-acetamido-3-(2-carboxyethylthio)propanoic acid
  • (2r)-2-acetamido-3-(2-carboxyethylthio)propionic acid
  • 2-carboxyethylmercapturic acid
  • 2-cema
  • n-ac-cec
  • s-(2-carboxyethyl)-n-acetylcysteine
CAS Number(s)
  • 51868-61-2
InChIKey CLQPFBSYILTXKI-LURJTMIESA-N
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