1-[(2S)-3-(Benzoylsulfanyl)-2-Methylpropanoyl]-L-Proline

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Properties Simple | Detailed

Formula C16H19NO4S
IUPAC Name (2s)-1-[(2s)-3-benzoylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 321.391 g·mol−1
Heat of Formation -659.4 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 382.88 Å 3
Surface Area 307.27 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-2-methyl-1-oxo-3-[(oxo-phenylmethyl)thio]propyl]-2-pyrrolidinecarboxylic acid
  • (2s)-1-[(2s)-2-methyl-3-phenylcarbonylsulfanyl-propanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-3-(benzoylsulfanyl)-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-3-(benzoylsulfanyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-3-(benzoylthio)-2-methyl-propanoyl]proline
  • l-proline, 1-((2s)-3-(benzoylthio)-2-methyl-1-oxopropyl)-
CAS Number(s)
  • 75107-57-2
InChIKey PZFBMHLQMFIRCU-YPMHNXCESA-N
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