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2ZL

Summary
Name:N~2~-benzyl-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide
Formula:C17 H19 F N2 O4 S
Formal charge:0
Formula weight:366.407 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~2~-benzyl-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide
OpenEye OEToolkits1.9.2(2R)-2-[(4-fluoranyl-3-methyl-phenyl)sulfonyl-(phenylmethyl)amino]-N-oxidanyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1c(cc(cc1)S(=O)(=O)N(C(C(=O)NO)C)Cc2ccccc2)C
InChIInChI1.03InChI=1S/C17H19FN2O4S/c1-12-10-15(8-9-16(12)18)25(23,24)20(13(2)17(21)19-22)11-14-6-4-3-5-7-14/h3-10,13,22H,11H2,1-2H3,(H,19,21)/t13-/m1/s1
InChIKeyInChI1.03ZVJSGLFNUKONDD-CYBMUJFWSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](N(Cc1ccccc1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO
SMILESCACTVS3.385C[CH](N(Cc1ccccc1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO
SMILESOpenEye OEToolkits1.9.2Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO

222415

PDB entries from 2024-07-10

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