| PDB CCD ID: | D9Y |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H31 N3 O4 |
| InChI: | InChI=1S/C18H31N3O4/c22-16-14(20-18(23)19-12-7-3-1-4-8-12)13-11-24-17(25-13)15(16)21-9-5-2-6-10-21/h12-17,22H,1-11H2,(H2,19,20,23)/t13-,14-,15-,16+,17-/m1/s1 |
| InChIKey: | NLUHIVDPQQPQPD-OVYGPGRDSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C1CCC(CC1)NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4 | | CACTVS 3.385 | O[CH]1[CH](NC(=O)NC2CCCCC2)[CH]3CO[CH](O3)[CH]1N4CCCCC4 | | ACDLabs 12.01 | OC3C(NC(=O)NC1CCCCC1)C4COC(C3N2CCCCC2)O4 | | CACTVS 3.385 | O[C@H]1[C@H](NC(=O)NC2CCCCC2)[C@H]3CO[C@H](O3)[C@@H]1N4CCCCC4 | | OpenEye OEToolkits 2.0.6 | C1CCC(CC1)NC(=O)NC2C3COC(O3)C(C2O)N4CCCCC4 |
|
| Name: | 1-cyclohexyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea |
| ZINC: | ZINC000012529628 |
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