| PDB CCD ID: | 3HE |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C15 H23 N O4 |
| InChI: | InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1 |
| InChIKey: | YPHMISFOHDHNIV-FSZOTQKASA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C2NC(=O)CC(CC(O)C1C(=O)C(C)CC(C)C1)C2 | | OpenEye OEToolkits 1.9.2 | CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C | | OpenEye OEToolkits 1.9.2 | C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C | | CACTVS 3.385 | C[CH]1C[CH](C)C(=O)[CH](C1)[CH](O)CC2CC(=O)NC(=O)C2 | | CACTVS 3.385 | C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2 |
|
| Name: | 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione |
| ChEMBL: | CHEMBL123292 |
| ZINC: | ZINC000003872170 |
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