4-(Methylsulfanyl)-L-Isovaline

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Properties Simple | Detailed

Formula C6H13NO2S
IUPAC Name (2s)-2-azaniumyl-2-methyl-4-methylsulfanyl-butanoate
Molecular Mass 163.238 g·mol−1
Heat of Formation -366.9 ± 16.7 kJ·mol−1
Dipole Moment 8.95 ± 1.08 D
Volume 202.23 Å 3
Surface Area 188.57 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 3.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-2-methyl-4-(methylthio)butanoic acid
  • (2s)-2-amino-2-methyl-4-(methylthio)butyric acid
  • (2s)-2-amino-2-methyl-4-methylsulfanyl-butanoic acid
  • (2s)-2-amino-2-methyl-4-methylsulfanylbutanoic acid
  • 2-methylmethionine
  • alpha-methylmethionine
  • methionine, 2-methyl-
  • methylmethionine
CAS Number(s)
  • 562-48-1
InChIKey ZYVMPHJZWXIFDQ-LURJTMIESA-N
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