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

GEV

Summary
Name:(5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
Synonyms:Darglitazone
Formula:C23 H18 N2 O4 S
Formal charge:0
Formula weight:418.465 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
OpenEye OEToolkits2.0.65-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c4ccc(c3nc(CCC(c2ccc(\C=C1\C(NC(=O)S1)=O)cc2)=O)c(C)o3)cc4
InChIInChI1.03InChI=1S/C23H18N2O4S/c1-14-18(24-22(29-14)17-5-3-2-4-6-17)11-12-19(26)16-9-7-15(8-10-16)13-20-21(27)25-23(28)30-20/h2-10,13H,11-12H2,1H3,(H,25,27,28)
InChIKeyInChI1.03DAVUFXMQAAAHHE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1oc(nc1CCC(=O)c2ccc(cc2)\C=C\3SC(=O)NC\3=O)c4ccccc4
SMILESCACTVS3.385Cc1oc(nc1CCC(=O)c2ccc(cc2)C=C3SC(=O)NC3=O)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C4C(=O)NC(=O)S4
SMILESOpenEye OEToolkits2.0.6Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C4C(=O)NC(=O)S4

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon