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DID

Summary
Name:4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE
Formula:C20 H26 N4 O2
Formal charge:0
Formula weight:354.446 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044,4'-[hexane-1,6-diylbis(oxy)]dibenzenecarboximidamide
OpenEye OEToolkits1.5.04-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(c1ccc(cc1)C(=[N@H])N)CCCCCCOc2ccc(C(=[N@H])N)cc2
SMILES_CANONICALCACTVS3.341NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1
SMILESCACTVS3.341NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N
InChIInChI1.03InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)
InChIKeyInChI1.03OQLKNTOKMBVBKV-UHFFFAOYSA-N

219140

PDB entries from 2024-05-01

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