N-Isobutyryl-L-Cysteine

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Properties Simple | Detailed

Formula C7H13NO3S
IUPAC Name (2r)-2-(2-methylpropanoylamino)-3-sulfanyl-propanoic acid
Molecular Mass 191.248 g·mol−1
Heat of Formation -638.0 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 232.48 Å 3
Surface Area 218.34 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(2-methylpropanoylamino)-3-sulfanyl-propanoic acid
  • (2r)-2-(2-methylpropanoylamino)-3-sulfanylpropanoic acid
  • (2r)-2-(isobutyrylamino)-3-mercapto-propionic acid
  • (2r)-3-mercapto-2-[(2-methyl-1-oxopropyl)amino]propanoic acid
  • n-(2-methyl-1-oxopropyl)-l-cysteine
CAS Number(s)
  • 124529-02-8
InChIKey BWBQXMAXLAHHTK-YFKPBYRVSA-N
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