N-Acetyl-3-(Methylsulfanyl)-L-Valine

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Properties Simple | Detailed

Formula C8H15NO3S
IUPAC Name (2r)-2-acetamido-3-methyl-3-methylsulfanyl-butanoic acid
Molecular Mass 205.275 g·mol−1
Heat of Formation -669.3 ± 16.7 kJ·mol−1
Dipole Moment 1.44 ± 1.08 D
Volume 251.27 Å 3
Surface Area 222.36 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-methyl-3-(methylthio)butanoic acid
  • (2r)-2-acetamido-3-methyl-3-(methylthio)butyric acid
  • (2r)-2-acetamido-3-methyl-3-methylsulfanyl-butanoic acid
  • (2r)-2-acetamido-3-methyl-3-methylsulfanylbutanoic acid
  • dl-valine, n-acetyl-3-(methylthio)-
  • s-methyl-n-acetylpenicillamine
CAS Number(s)
  • 34297-29-5
InChIKey CZLUCNVYZJBVPR-ZCFIWIBFSA-N
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