| PDB CCD ID: | W9R |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H15 Cl2 N O3 |
| InChI: | InChI=1S/C14H15Cl2NO3/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20)/t11-,12+/m0/s1 |
| InChIKey: | VSMUYYFJVFSVCA-NWDGAFQWSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)[CH]1CCCC[CH]1C(=O)Nc2cc(Cl)cc(Cl)c2 | | OpenEye OEToolkits 2.0.7 | c1c(cc(cc1Cl)Cl)NC(=O)C2CCCCC2C(=O)O | | CACTVS 3.385 | OC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc2cc(Cl)cc(Cl)c2 | | OpenEye OEToolkits 2.0.7 | c1c(cc(cc1Cl)Cl)NC(=O)[C@H]2CCCC[C@H]2C(=O)O |
|
| Name: | (1R,2S)-2-[[3,5-bis(chloranyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid |
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