N-Acetyl-S-[2-(4-Chlorophenoxy)-2-Methylpropanoyl]-L-Cysteine

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Properties Simple | Detailed

Formula C15H18ClNO5S
IUPAC Name (2r)-2-acetamido-3-[2-(4-chlorophenoxy)-2-methyl-propanoyl]sulfanyl-propanoic acid
Molecular Mass 359.825 g·mol−1
Heat of Formation -880.6 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 401.35 Å 3
Surface Area 341.2 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-[2-(4-chlorophenoxy)-2-methyl-propanoyl]sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-[2-(4-chlorophenoxy)-2-methylpropanoyl]sulfanylpropanoic acid
  • (2r)-2-acetamido-3-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]thio]propanoic acid
  • (2r)-2-acetamido-3-[[2-(4-chlorophenoxy)-2-methyl-propanoyl]thio]propionic acid
  • l-cysteine, n-acetyl-, 2-(4-chlorophenoxy)-2-methylpropanoate (ester)
CAS Number(s)
  • 84489-15-6
InChIKey CIZGEASWPCDLRX-LBPRGKRZSA-N
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