| PDB CCD ID: | JZF |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H29 N O6 |
| InChI: | InChI=1S/C19H29NO6/c1-4-26-18(24)10-20-16(22)8-13(9-17(20)23)7-15(21)14-6-11(2)5-12(3)19(14)25/h11-15,21H,4-10H2,1-3H3/t11-,12-,14-,15+/m0/s1 |
| InChIKey: | KWCVNASRVVSXHH-NZBPQXDJSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.352 | CCOC(=O)CN1C(=O)CC(C[C@@H](O)[C@@H]2C[C@@H](C)C[C@H](C)C2=O)CC1=O | | OpenEye OEToolkits 1.7.0 | CCOC(=O)CN1C(=O)CC(CC1=O)CC(C2CC(CC(C2=O)C)C)O | | OpenEye OEToolkits 1.7.0 | CCOC(=O)CN1C(=O)CC(CC1=O)C[C@H]([C@@H]2C[C@H](C[C@@H](C2=O)C)C)O | | CACTVS 3.352 | CCOC(=O)CN1C(=O)CC(C[CH](O)[CH]2C[CH](C)C[CH](C)C2=O)CC1=O | | ACDLabs 11.02 | O=C1C(C)CC(C)CC1C(O)CC2CC(=O)N(C(=O)C2)CC(=O)OCC |
|
| Name: | ethyl (4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-dioxopiperidin-1-yl)acetate |
| ChEMBL: | CHEMBL333448 |
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