N-[(2S)-3-Phenyl-2-Sulfanylpropanoyl]Glycyl-(5R)-5-Phenyl-L-Proline

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Properties Simple | Detailed

Formula C22H24N2O4S
IUPAC Name (2s,5r)-5-phenyl-1-[2-[[(2s)-3-phenyl-2-sulfanyl-propanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
Molecular Mass 412.502 g·mol−1
Heat of Formation -562.8 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 492.0 Å 3
Surface Area 413.21 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r)-1-[2-[[(2s)-2-mercapto-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylic acid
  • (2s,5r)-1-[2-[[(2s)-2-mercapto-3-phenyl-propanoyl]amino]acetyl]-5-phenyl-proline
  • (2s,5r)-5-phenyl-1-[2-[[(2s)-3-phenyl-2-sulfanyl-propanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
  • (2s,5r)-5-phenyl-1-[2-[[(2s)-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid
  • (2s,5r)-5-phenyl-1-[2-[[(2s)-3-phenyl-2-sulfanylpropanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
  • [(2s)-2-sulfanyl-3-phenylpropanoyl]-gly-(5-phenylproline)
  • rb106
  • ti3
InChIKey ZWDQTNWLXALTOV-QYZOEREBSA-N
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