• 
  [Synonyms]
  NSC675963
  AIDS147006
  AIDS-147006
  NCI60_026815
  3'-(((2-(Bis(2-(((3'-carboxy-2,2'-dimethoxy[1,1'-biphenyl]-3-yl)carbonyl)amino)ethyl)amino)ethyl)amino)carbonyl)-2,2'-dimethoxy[1,1'-biphenyl]-3-carboxylic acid
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	999.02436 [g/mol]
  Molecular Formula	C54H54N4O15
  XLogP	7.9
  H-Bond Donor	6
  H-Bond Acceptor	16
  Rotatable Bond Count	24
  Tautomer Count	4
  Exact Mass	998.358567
  MonoIsotopic Mass	998.358567
  Topological Polar Surface Area	258
  Heavy Atom Count	73
  Formal Charge	0
  Complexity	1610
  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	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 3-[3-[2-[bis[2-[[3-(3-carboxy-2-methoxyphenyl)-2-methoxybenzoyl]amino]
  ethyl]amino]ethylcarbamoyl]-2-methoxyphenyl]-2-methoxybenzoic acid
  Canonical SMILES: COC1=C(C=CC=C1C(=O)NCCN(CCNC(=O)C2=CC=CC(=C2OC)C3=C(C(=CC=C3)C(=O)O)OC)
  CCNC(=O)C4=CC=CC(=C4OC)C5=C(C(=CC=C5)C(=O)O)OC)C6=C(C(=CC=C6)C(=O)O)OC
  InChI: InChI=1/C54H54N4O15/c1-68-43-31(34-16-10-22-40(52(62)63)46(34)71-4)13-7-
  19-37(43)49(59)55-25-28-58(29-26-56-50(60)38-20-8-14-32(44(38)69-2)35-
  17-11-23-41(53(64)65)47(35)72-5)30-27-57-51(61)39-21-9-15-33(45(39)70-3)
  36-18-12-24-42(54(66)67)48(36)73-6/h7-24H,25-30H2,1-6H3,(H,55,59)(H,56,
  60)(H,57,61)(H,62,63)(H,64,65)(H,66,67)/f/h55-57,62,64,66H