N-Acetyl-S-{2-[Isopropyl(Phenyl)Amino]-2-Oxoethyl}-L-Cysteine

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Properties Simple | Detailed

Formula C16H22N2O4S
IUPAC Name (2r)-2-acetamido-3-[2-(n-isopropylanilino)-2-oxo-ethyl]sulfanyl-propanoic acid
Molecular Mass 338.422 g·mol−1
Heat of Formation -745.7 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 409.86 Å 3
Surface Area 330.22 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-[2-(isopropyl-phenyl-amino)-2-oxo-ethyl]sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-[2-oxo-2-(phenyl-propan-2-yl-amino)ethyl]sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-[2-oxo-2-(phenyl-propan-2-ylamino)ethyl]sulfanylpropanoic acid
  • (2r)-2-acetamido-3-[[2-(isopropyl-phenyl-amino)-2-keto-ethyl]thio]propionic acid
  • (2r)-2-acetamido-3-[[2-(isopropyl-phenylamino)-2-oxoethyl]thio]propanoic acid
  • 2-(acetylcysteine)-n-isopropylacetanilide
CAS Number(s)
  • 58403-00-2
InChIKey BLNXLKHGHLFYJT-AWEZNQCLSA-N
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