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5X

Summary
Name:5R-(2E-METHYL-3-PHENYL-ALLYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
Formula:C19 H18 N2 O3 S3
Formal charge:0
Formula weight:418.553 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-{(5R)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzenesulfonamide
OpenEye OEToolkits1.5.0N-[(5R)-5-[(E)-2-methyl-3-phenyl-prop-2-enyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(NN1C(=O)C(SC1=S)CC(=C\c2ccccc2)\C)c3ccccc3
InChIInChI1.03InChI=1S/C19H18N2O3S3/c1-14(12-15-8-4-2-5-9-15)13-17-18(22)21(19(25)26-17)20-27(23,24)16-10-6-3-7-11-16/h2-12,17,20H,13H2,1H3/b14-12+/t17-/m1/s1
InChIKeyInChI1.03UKJRRVJSDMEEHV-ABDJAZHISA-N
SMILES_CANONICALCACTVS3.385CC(/C[C@H]1SC(=S)N(N[S](=O)(=O)c2ccccc2)C1=O)=C\c3ccccc3
SMILESCACTVS3.385CC(C[CH]1SC(=S)N(N[S](=O)(=O)c2ccccc2)C1=O)=Cc3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.5C/C(=C\c1ccccc1)/C[C@@H]2C(=O)N(C(=S)S2)NS(=O)(=O)c3ccccc3
SMILESOpenEye OEToolkits1.7.5CC(=Cc1ccccc1)CC2C(=O)N(C(=S)S2)NS(=O)(=O)c3ccccc3

218853

PDB entries from 2024-04-24

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