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

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Properties Simple | Detailed

Formula C14H20N2O3S
IUPAC Name (2r)-2-amino-3-[2-(n-isopropylanilino)-2-oxo-ethyl]sulfanyl-propanoic acid
Molecular Mass 296.385 g·mol−1
Heat of Formation -515.5 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 361.56 Å 3
Surface Area 288.17 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-[2-(isopropyl-phenyl-amino)-2-oxo-ethyl]sulfanyl-propanoic acid
  • (2r)-2-amino-3-[2-oxo-2-(phenyl-propan-2-yl-amino)ethyl]sulfanyl-propanoic acid
  • (2r)-2-amino-3-[2-oxo-2-(phenyl-propan-2-ylamino)ethyl]sulfanylpropanoic acid
  • (2r)-2-amino-3-[[2-(isopropyl-phenyl-amino)-2-keto-ethyl]thio]propionic acid
  • (2r)-2-amino-3-[[2-(isopropyl-phenylamino)-2-oxoethyl]thio]propanoic acid
  • 2-(cysteine)-n-isopropylacetanilide
  • s-(2-((1-methylethyl)phenylamino)-2-oxoethyl)-l-cysteine
CAS Number(s)
  • 70628-37-4
InChIKey CJNUSLLGQGPPDT-LBPRGKRZSA-N
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