| PDB CCD ID: | GD4 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H27 N O5 S |
| InChI: | InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24+/m0/s1 |
| InChIKey: | GXPHKUHSUJUWKP-YADARESESA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C1C(Oc2c(C1)c(C)c(O)c(c2C)C)(COc3ccc(cc3)CC4SC(NC4=O)=O)C | | OpenEye OEToolkits 2.0.6 | Cc1c(c2c(c(c1O)C)CCC(O2)(C)COc3ccc(cc3)CC4C(=O)NC(=O)S4)C | | CACTVS 3.385 | Cc1c(C)c2O[C](C)(CCc2c(C)c1O)COc3ccc(C[CH]4SC(=O)NC4=O)cc3 | | CACTVS 3.385 | Cc1c(C)c2O[C@](C)(CCc2c(C)c1O)COc3ccc(C[C@@H]4SC(=O)NC4=O)cc3 | | OpenEye OEToolkits 2.0.6 | Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@H]4C(=O)NC(=O)S4)C |
|
| Name: | (5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione;
Troglitazone (isoform) |
| ZINC: | ZINC000000968276 |
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