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8LC

Summary
Name:N,N'-OCTANE-1,8-DIYLBIS(2,3-DIHYDROXYBENZAMIDE)
Formula:C22 H28 N2 O6
Formal charge:0
Formula weight:416.468 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.6N-[8-[[2,3-bis(oxidanyl)phenyl]carbonylamino]octyl]-2,3-bis(oxidanyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H28N2O6/c25-17-11-7-9-15(19(17)27)21(29)23-13-5-3-1-2-4-6-14-24-22(30)16-10-8-12-18(26)20(16)28/h7-12,25-28H,1-6,13-14H2,(H,23,29)(H,24,30)
InChIKeyInChI1.03DREKRZFIOMALFJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cccc(C(=O)NCCCCCCCCNC(=O)c2cccc(O)c2O)c1O
SMILESCACTVS3.385Oc1cccc(C(=O)NCCCCCCCCNC(=O)c2cccc(O)c2O)c1O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(c(c1)O)O)C(=O)NCCCCCCCCNC(=O)c2cccc(c2O)O
SMILESOpenEye OEToolkits1.7.6c1cc(c(c(c1)O)O)C(=O)NCCCCCCCCNC(=O)c2cccc(c2O)O

220472

PDB entries from 2024-05-29

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