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Summary

Name:~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
Formula:C16 H25 N3 O5
Formal charge:0
Molecular weight:339.387 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)/t14-/m0/s1
InChIKeyInChI1.03DXPOSRCHIDYWHW-AWEZNQCLSA-N
SMILES_CANONICALCACTVS3.385O[C@@H](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2
SMILESCACTVS3.385O[CH](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(ccc1O)OC[C@H](CNCCNC(=O)N2CCOCC2)O
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1O)OCC(CNCCNC(=O)N2CCOCC2)O