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30H

Summary
Name:N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(pyridin-3-ylmethyl)-D-alaninamide
Formula:C16 H18 F N3 O4 S
Formal charge:0
Formula weight:367.395 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1c(cc(cc1)S(=O)(=O)N(Cc2cccnc2)C(C(=O)NO)C)C
InChIInChI1.03InChI=1S/C16H18FN3O4S/c1-11-8-14(5-6-15(11)17)25(23,24)20(12(2)16(21)19-22)10-13-4-3-7-18-9-13/h3-9,12,22H,10H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyInChI1.03OFKSJKLKSOBXCJ-GFCCVEGCSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](N(Cc1cccnc1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO
SMILESCACTVS3.385C[CH](N(Cc1cccnc1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccnc2)[C@H](C)C(=O)NO
SMILESOpenEye OEToolkits1.9.2Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccnc2)C(C)C(=O)NO

222415

PDB entries from 2024-07-10

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