Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

CWX

Summary
Name:4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide
Formula:C19 H23 N O8 S
Formal charge:0
Formula weight:425.453 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014'-(alpha-D-glucopyranosyloxy)-N-methylbiphenyl-4-sulfonamide
OpenEye OEToolkits1.7.64-[4-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-N-methyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(NC)c1ccc(cc1)c3ccc(OC2OC(C(O)C(O)C2O)CO)cc3
InChIInChI1.03InChI=1S/C19H23NO8S/c1-20-29(25,26)14-8-4-12(5-9-14)11-2-6-13(7-3-11)27-19-18(24)17(23)16(22)15(10-21)28-19/h2-9,15-24H,10H2,1H3/t15-,16-,17+,18-,19+/m1/s1
InChIKeyInChI1.03CVQPQNFDTNLHAE-FQBWVUSXSA-N
SMILES_CANONICALCACTVS3.385CN[S](=O)(=O)c1ccc(cc1)c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2
SMILESCACTVS3.385CN[S](=O)(=O)c1ccc(cc1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6CNS(=O)(=O)c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
SMILESOpenEye OEToolkits1.7.6CNS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC3C(C(C(C(O3)CO)O)O)O

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon