3-(Methylsulfanyl)-L-Valine

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Properties Simple | Detailed

Formula C6H13NO2S
IUPAC Name (2r)-2-amino-3-methyl-3-methylsulfanyl-butanoic acid
Molecular Mass 163.238 g·mol−1
Heat of Formation -443.2 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 202.0 Å 3
Surface Area 184.42 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 3.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-methyl-3-(methylthio)butanoic acid
  • (2r)-2-amino-3-methyl-3-(methylthio)butyric acid
  • (2r)-2-amino-3-methyl-3-methylsulfanyl-butanoic acid
  • (2r)-2-amino-3-methyl-3-methylsulfanylbutanoic acid
  • s-methylpenicillamine
  • valine, 3-(methylthio)-, dl-
CAS Number(s)
  • 34297-28-4
InChIKey XSMLYGQTOGLZDA-SCSAIBSYSA-N
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