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OX8

Summary
Name:1,12-bis(oxidanyl)-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone
Formula:C18 H32 N4 O6
Formal charge:0
Formula weight:400.47 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.01,12-bis(oxidanyl)-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H32N4O6/c23-15-7-10-18(26)22(28)14-6-2-4-12-20-16(24)8-9-17(25)21(27)13-5-1-3-11-19-15/h27-28H,1-14H2,(H,19,23)(H,20,24)
InChIKeyInChI1.06GTADQMQBQBOJIO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O
SMILESCACTVS3.385ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O
SMILESOpenEye OEToolkits3.1.0.0C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O

223532

PDB entries from 2024-08-07

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