| PDB CCD ID: | D9V |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C16 H24 N2 O4 |
| InChI: | InChI=1S/C16H24N2O4/c19-15-13(17-9-11-5-4-8-20-11)12-10-21-16(22-12)14(15)18-6-2-1-3-7-18/h4-5,8,12-17,19H,1-3,6-7,9-10H2/t12-,13-,14-,15+,16-/m1/s1 |
| InChIKey: | UGNVVIUBNSMYSH-DGXTUMSLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1cc(oc1)CNC2C3COC(O3)C(C2O)N4CCCCC4 | | CACTVS 3.385 | O[CH]1[CH](NCc2occc2)[CH]3CO[CH](O3)[CH]1N4CCCCC4 | | CACTVS 3.385 | O[C@H]1[C@H](NCc2occc2)[C@H]3CO[C@H](O3)[C@@H]1N4CCCCC4 | | OpenEye OEToolkits 2.0.6 | c1cc(oc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4 | | ACDLabs 12.01 | OC3C(NCc1occc1)C4COC(C3N2CCCCC2)O4 |
|
| Name: | (1S,2S,3S,4R,5R)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol |
| ChEMBL: | CHEMBL4938972 |
| ZINC: | ZINC000012529615 |
umich.edu