• 
  [Synonyms]
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	428.54438 [g/mol]
  Molecular Formula	C22H22NO4S2-
  H-Bond Donor	0
  H-Bond Acceptor	4
  Rotatable Bond Count	7
  Exact Mass	428.099025
  MonoIsotopic Mass	428.099025
  Topological Polar Surface Area	77.5
  Heavy Atom Count	29
  Formal Charge	-1
  Complexity	582
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	3
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: (2S,
  4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-
  phenylsulfanylpyrrolidine-2-carboxylate
  Canonical SMILES: CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)[O-])SC3=CC=CC=C3
  Isomeric SMILES: C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N2C[C@H](C[C@H]2C(=O)[O-])SC3=CC=CC=C3
  InChI: InChI=1/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-
  19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,
  26)/p-1/t15-,18-,19+/m1/s1/fC22H22NO4S2/q-1