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0I6

Summary
Name:4-[(2R)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide
Synonyms:4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide
Formula:C18 H23 N O6 S Se Te
Formal charge:0
Formula weight:588.003 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-[(2~{R})-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H23NO6SSeTe/c1-23-16-8-15(9-17(24-2)18(16)25-3)28-11-12(20)10-27-14-6-4-13(5-7-14)26(19,21)22/h4-9,12,20H,10-11H2,1-3H3,(H2,19,21,22)/t12-/m1/s1
InChIKeyInChI1.06WMOBOLCMHUIFRY-GFCCVEGCSA-N
SMILES_CANONICALCACTVS3.385COc1cc([Te]C[C@H](O)C[Se]c2ccc(cc2)[S](N)(=O)=O)cc(OC)c1OC
SMILESCACTVS3.385COc1cc([Te]C[CH](O)C[Se]c2ccc(cc2)[S](N)(=O)=O)cc(OC)c1OC
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cc(cc(c1OC)OC)[Te]C[C@@H](C[Se]c2ccc(cc2)S(=O)(=O)N)O
SMILESOpenEye OEToolkits2.0.7COc1cc(cc(c1OC)OC)[Te]CC(C[Se]c2ccc(cc2)S(=O)(=O)N)O

222415

PDB entries from 2024-07-10

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