| PDB CCD ID: | WHZ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H15 Cl2 N O3 |
| InChI: | InChI=1S/C14H15Cl2NO3/c15-10-6-5-8(7-11(10)16)13(18)17-12-4-2-1-3-9(12)14(19)20/h5-7,9,12H,1-4H2,(H,17,18)(H,19,20)/t9-,12+/m1/s1 |
| InChIKey: | UNBOSHDTTWSTJX-SKDRFNHKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)[CH]1CCCC[CH]1NC(=O)c2ccc(Cl)c(Cl)c2 | | OpenEye OEToolkits 2.0.7 | c1cc(c(cc1C(=O)NC2CCCCC2C(=O)O)Cl)Cl | | CACTVS 3.385 | OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c2ccc(Cl)c(Cl)c2 | | ACDLabs 12.01 | O=C(NC1CCCCC1C(=O)O)c1ccc(Cl)c(Cl)c1 | | OpenEye OEToolkits 2.0.7 | c1cc(c(cc1C(=O)N[C@H]2CCCC[C@H]2C(=O)O)Cl)Cl |
|
| Name: | (1R,2S)-2-(3,4-dichlorobenzamido)cyclohexane-1-carboxylic acid |
umich.edu