| PDB CCD ID: | LRN |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H36 N2 O2 |
| InChI: | InChI=1S/C20H36N2O2/c1-16(23)21-13-5-8-19(15-21)22(14-17-6-3-2-4-7-17)18-9-11-20(24)12-10-18/h17-20,24H,2-15H2,1H3/t18-,19-,20-/m1/s1 |
| InChIKey: | BWGFBDXTNPNCAD-VAMGGRTRSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(=O)N1CCCC(C1)N(CC2CCCCC2)C3CCC(CC3)O | | CACTVS 3.385 | CC(=O)N1CCC[C@H](C1)N(CC2CCCCC2)[C@H]3CC[C@H](O)CC3 | | CACTVS 3.385 | CC(=O)N1CCC[CH](C1)N(CC2CCCCC2)[CH]3CC[CH](O)CC3 | | ACDLabs 12.01 | O=C(C)N1CCCC(C1)N(CC1CCCCC1)C1CCC(O)CC1 | | OpenEye OEToolkits 2.0.7 | CC(=O)N1CCC[C@H](C1)N(CC2CCCCC2)C3CCC(CC3)O |
|
| Name: | 1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one |
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