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

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Properties Simple | Detailed

Formula C16H21NO3S
IUPAC Name (2s)-1-[(2s)-3-benzylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 307.408 g·mol−1
Heat of Formation -545.4 ± 16.7 kJ·mol−1
Dipole Moment 2.24 ± 1.08 D
Volume 377.59 Å 3
Surface Area 291.35 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-2-methyl-1-oxo-3-(phenylmethylthio)propyl]-2-pyrrolidinecarboxylic acid
  • (2s)-1-[(2s)-2-methyl-3-(phenylmethylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-3-(benzylthio)-2-methyl-propanoyl]proline
  • (s)-1-(2-methyl-1-oxo-3-((phenylmethyl)thio)propyl)-l-proline
  • l-proline, 1-(2-methyl-1-oxo-3-((phenylmethyl)thio)propyl)-, (s)-
  • s-benzylcaptopril
CAS Number(s)
  • 81276-20-2
InChIKey GOQRCCPPVPASAM-OCCSQVGLSA-N
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