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

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Properties Simple | Detailed

Formula C17H24N2O4S
IUPAC Name (2s)-2-acetamido-4-[2-(n-isopropylanilino)-2-oxo-ethyl]sulfanyl-butanoic acid
Molecular Mass 352.448 g·mol−1
Heat of Formation -760.4 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 427.43 Å 3
Surface Area 333.05 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-4-[2-(isopropyl-phenyl-amino)-2-oxo-ethyl]sulfanyl-butanoic acid
  • (2s)-2-acetamido-4-[2-oxo-2-(phenyl-propan-2-yl-amino)ethyl]sulfanyl-butanoic acid
  • (2s)-2-acetamido-4-[2-oxo-2-(phenyl-propan-2-ylamino)ethyl]sulfanylbutanoic acid
  • (2s)-2-acetamido-4-[[2-(isopropyl-phenyl-amino)-2-keto-ethyl]thio]butyric acid
  • (2s)-2-acetamido-4-[[2-(isopropyl-phenylamino)-2-oxoethyl]thio]butanoic acid
  • 2-s-homocysteinyl-n-isopropylacetanilide
  • homo-cys-ipa
  • homocysteinylpropachlor
  • l-homocysteine, n-acetyl-s-(2-((1-methylethyl)phenylamino)-2-oxoethyl)-
CAS Number(s)
  • 142353-11-5
InChIKey YSDQKENKWNYMPI-HNNXBMFYSA-N
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