• 
  [Synonyms]
  EINECS 222-080-8
  3338-32-7
  tert-Butyl (S)-4-((2,5-dioxo-1-pyrrolidinyl)oxy)-4-oxo-3-(((phenylmethoxy)carbonyl)amino)butyrate
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	420.41316 [g/mol]
  Molecular Formula	C20H24N2O8
  XLogP	1.3
  H-Bond Donor	1
  H-Bond Acceptor	8
  Rotatable Bond Count	11
  Tautomer Count	6
  Exact Mass	420.153266
  MonoIsotopic Mass	420.153266
  Topological Polar Surface Area	128
  Heavy Atom Count	30
  Formal Charge	0
  Complexity	663
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	1
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: (2,5-dioxopyrrolidin-1-yl) tert-butyl
  2-(phenylmethoxycarbonylamino)butanedioate
  Canonical SMILES: CC(C)(C)OC(=O)CC(C(=O)ON1C(=O)CCC1=O)NC(=O)OCC2=CC=CC=C2
  InChI: InChI=1/C20H24N2O8/c1-20(2,
  3)29-17(25)11-14(18(26)30-22-15(23)9-10-16(22)24)21-19(27)28-12-13-7-5-
  4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,27)/f/h21H