1-[(2S)-2-Methyl-3-Sulfanylpropanoyl]-D-Proline

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Properties Simple | Detailed

Formula C9H15NO3S
IUPAC Name (2r)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 217.285 g·mol−1
Heat of Formation -605.4 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 263.54 Å 3
Surface Area 239.32 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid
  • (2r)-1-[(2s)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
  • (2r)-1-[(2s)-3-mercapto-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid
  • (2r)-1-[(2s)-3-mercapto-2-methyl-propanoyl]proline
  • 1-(3-mercapto-2-methyl-propionyl)-pyrrolidine-2-carboxylic acid
  • mco
InChIKey FAKRSMQSSFJEIM-RNFRBKRXSA-N
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