| PDB CCD ID: | WFK |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H13 Cl O4 |
| InChI: | InChI=1S/C13H13ClO4/c14-9-3-1-7(2-4-9)12(16)10-5-8(13(17)18)6-11(10)15/h1-4,8,10-11,15H,5-6H2,(H,17,18)/t8-,10-,11+/m1/s1 |
| InChIKey: | IUNWWIQWYGHVGX-IEBDPFPHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O[C@H]1C[C@@H](C[C@H]1C(=O)c2ccc(Cl)cc2)C(O)=O | | ACDLabs 12.01 | O=C(C1CC(CC1O)C(=O)O)c1ccc(Cl)cc1 | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1C(=O)[C@@H]2C[C@H](C[C@@H]2O)C(=O)O)Cl | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1C(=O)C2CC(CC2O)C(=O)O)Cl | | CACTVS 3.385 | O[CH]1C[CH](C[CH]1C(=O)c2ccc(Cl)cc2)C(O)=O |
|
| Name: | (1R,3R,4S)-3-(4-chlorobenzoyl)-4-hydroxycyclopentane-1-carboxylic acid |
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