(4S)-1-[(2S)-2-Methyl-3-Sulfanylpropanoyl]-4-(Phenylsulfanyl)-L-Proline

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Properties Simple | Detailed

Formula C15H19NO3S2
IUPAC Name (2s,4s)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid
Molecular Mass 325.446 g·mol−1
Heat of Formation -474.2 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 390.16 Å 3
Surface Area 320.95 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid
  • (2s,4s)-1-[(2s)-2-methyl-3-sulfanylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid
  • (2s,4s)-1-[(2s)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenylthio)-2-pyrrolidinecarboxylic acid
  • (2s,4s)-1-[(2s)-3-mercapto-2-methyl-propanoyl]-4-(phenylthio)proline
  • l-proline, 1-(3-mercapto-2-methyl-1-oxopropyl)-4-(phenylthio)-, (1(r*),2alpha,4alpha)-
  • l-proline, 1-[(2s)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenylthio)-, 4s
  • zed
  • zofenoprilat
  • zofenoprilate
CAS Number(s)
  • 75176-37-3
InChIKey UQWLOWFDKAFKAP-WXHSDQCUSA-N
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