| PDB CCD ID: | D9M |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H23 N3 O4 |
| InChI: | InChI=1S/C16H23N3O4/c20-15-13(18-9-11-1-3-17-4-2-11)12-10-22-16(23-12)14(15)19-5-7-21-8-6-19/h1-4,12-16,18,20H,5-10H2/t12-,13-,14-,15+,16-/m1/s1 |
| InChIKey: | RCXMXLJCXLGFHQ-DGXTUMSLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1cnccc1CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCOCC4 | | CACTVS 3.385 | O[C@H]1[C@H](NCc2ccncc2)[C@H]3CO[C@H](O3)[C@@H]1N4CCOCC4 | | CACTVS 3.385 | O[CH]1[CH](NCc2ccncc2)[CH]3CO[CH](O3)[CH]1N4CCOCC4 | | ACDLabs 12.01 | O1CCN(CC1)C3C4OCC(C(NCc2ccncc2)C3O)O4 | | OpenEye OEToolkits 2.0.6 | c1cnccc1CNC2C3COC(O3)C(C2O)N4CCOCC4 |
|
| Name: | (1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol |
| ZINC: | ZINC000012484038 |
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