3-[(S)-Butylsulfinyl]-L-Alanine

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Properties Simple | Detailed

Formula C7H15NO3S
IUPAC Name (2r)-2-azaniumyl-3-[(s)-butylsulfinyl]propanoate
Molecular Mass 193.264 g·mol−1
Heat of Formation -569.2 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 239.01 Å 3
Surface Area 231.54 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 3.62 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-[(s)-butylsulfinyl]propanoic acid
  • (2r)-2-amino-3-[(s)-butylsulfinyl]propionic acid
  • 2-amino-3-(butane-1-sulfinyl)-propionic acid
  • 3-(butylsulfinyl)alanine
  • s-n-butylcysteine sulfoxide
CAS Number(s)
  • 20702-80-1
InChIKey CBFHOPPJBYHALQ-QTTZVWFDSA-N
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