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4TM

Summary
Name:N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide
Formula:C17 H20 N2 O3 S
Formal charge:0
Formula weight:332.417 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide
OpenEye OEToolkits1.9.22,2-dimethyl-N-[(1R)-2-(oxidanylamino)-2-oxidanylidene-1-(4-thiophen-3-ylphenyl)ethyl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C)(C(NC(c1ccc(cc1)c2ccsc2)C(=O)NO)=O)C
InChIInChI1.03InChI=1S/C17H20N2O3S/c1-17(2,3)16(21)18-14(15(20)19-22)12-6-4-11(5-7-12)13-8-9-23-10-13/h4-10,14,22H,1-3H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyInChI1.03MHNLFRWKFJGARR-CQSZACIVSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)C(=O)N[C@@H](C(=O)NO)c1ccc(cc1)c2cscc2
SMILESCACTVS3.385CC(C)(C)C(=O)N[CH](C(=O)NO)c1ccc(cc1)c2cscc2
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO
SMILESOpenEye OEToolkits1.9.2CC(C)(C)C(=O)NC(c1ccc(cc1)c2ccsc2)C(=O)NO

217705

PDB entries from 2024-03-27

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