• 
  [Synonyms]
  LS-110846
  1-Piperazinecarboxylic acid, 4-(2-(carboxyisopentylamino)ethyl)-, diisopropyl ester, hydrochloride
  24269-73-6
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	407.97572 [g/mol]
  Molecular Formula	C19H38ClN3O4
  H-Bond Donor	1
  H-Bond Acceptor	5
  Rotatable Bond Count	10
  Exact Mass	407.255084
  MonoIsotopic Mass	407.255084
  Topological Polar Surface Area	62.3
  Heavy Atom Count	27
  Formal Charge	0
  Complexity	433
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	2

  
  [ Descriptors Computed from Structure]
  IUPAC Name: propan-2-yl
  4-[2-(3-methylbutyl-propan-2-yloxycarbonylamino)ethyl]piperazine-1-
  carboxylate hydrochloride
  Canonical SMILES: CC(C)CCN(CCN1CCN(CC1)C(=O)OC(C)C)C(=O)OC(C)C.Cl
  InChI: InChI=1/C19H37N3O4.ClH/c1-15(2)7-8-21(18(23)25-16(3)4)12-9-20-10-13-22
  (14-11-20)19(24)26-17(5)6;/h15-17H,7-14H2,1-6H3;1H