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4TK

Summary
Name:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
Formula:C13 H17 Br N2 O3
Formal charge:0
Formula weight:329.19 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
OpenEye OEToolkits1.9.2N-[(1R)-1-(4-bromophenyl)-2-(oxidanylamino)-2-oxidanylidene-ethyl]-2,2-dimethyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(c1ccc(Br)cc1)(NC(=O)C(C)(C)C)C(=O)NO
InChIInChI1.03InChI=1S/C13H17BrN2O3/c1-13(2,3)12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1
InChIKeyInChI1.03QSMFBPVNXFNEGF-SNVBAGLBSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)C(=O)N[C@@H](C(=O)NO)c1ccc(Br)cc1
SMILESCACTVS3.385CC(C)(C)C(=O)N[CH](C(=O)NO)c1ccc(Br)cc1
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(C)(C)C(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO
SMILESOpenEye OEToolkits1.9.2CC(C)(C)C(=O)NC(c1ccc(cc1)Br)C(=O)NO

218853

PDB entries from 2024-04-24

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