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946

Summary
Name:4-[(1~{R})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol
Synonyms:(1-(3,4-dihydroxyphenyl)-2-((naphthalen-1-ylmethyl)amino)ethan-1-one
Formula:C19 H19 N O3
Formal charge:0
Formula weight:309.359 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.64-[(1~{R})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H19NO3/c21-17-8-7-16(10-18(17)22)19(23)12-20-11-13-5-6-14-3-1-2-4-15(14)9-13/h1-10,19-23H,11-12H2/t19-/m0/s1
InChIKeyInChI1.03KSDGEFPHPRYPCZ-IBGZPJMESA-N
SMILES_CANONICALCACTVS3.385O[C@@H](CNCc1ccc2ccccc2c1)c3ccc(O)c(O)c3
SMILESCACTVS3.385O[CH](CNCc1ccc2ccccc2c1)c3ccc(O)c(O)c3
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2cc(ccc2c1)CNC[C@@H](c3ccc(c(c3)O)O)O
SMILESOpenEye OEToolkits2.0.6c1ccc2cc(ccc2c1)CNCC(c3ccc(c(c3)O)O)O

217705

PDB entries from 2024-03-27

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