• 
  [Synonyms]
  NDFHL
  N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine
  N(epsilon)-1-Deoxy-D-fructos-1-yl-hippuryl-lysine
  139950-87-1
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	469.48554 [g/mol]
  Molecular Formula	C21H31N3O9
  XLogP	-3.3
  H-Bond Donor	8
  H-Bond Acceptor	10
  Rotatable Bond Count	12
  Tautomer Count	4
  Exact Mass	469.20603
  MonoIsotopic Mass	469.20603
  Topological Polar Surface Area	198
  Heavy Atom Count	33
  Formal Charge	0
  Complexity	659
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	5
  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: (2R)-2-[[2-(benzoylamino)acetyl]amino]-6-[[(2R,3S,4R,5R)-2,3,4,
  5-tetrahydroxyoxan-2-yl]methylamino]hexanoic acid
  Canonical SMILES: C1C(C(C(C(O1)(CNCCCCC(C(=O)O)NC(=O)CNC(=O)C2=CC=CC=C2)O)O)O)O
  Isomeric SMILES: C1[C@H]([C@H]([C@@H]([C@](O1)(CNCCCC[C@H](C(=O)O)NC(=O)CNC(=O)C2=CC=CC=
  C2)O)O)O)O
  InChI: InChI=1/C21H31N3O9/c25-15-11-33-21(32,
  18(28)17(15)27)12-22-9-5-4-8-14(20(30)31)24-16(26)10-23-19(29)13-6-2-1-
  3-7-13/h1-3,6-7,14-15,17-18,22,25,27-28,32H,4-5,8-12H2,(H,23,29)(H,24,
  26)(H,30,31)/t14-,15-,17-,18+,21-/m1/s1/f/h23-24,30H