| PDB CCD ID: | S06 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H21 N O6 |
| InChI: | InChI=1S/C18H21NO6/c20-9-14-15(21)16(22)17(23)18(24-14)8-13(19-25-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-17,19-23H,8-9H2/t13-,14+,15+,16-,17+,18+/m0/s1 |
| InChIKey: | ZCJBDRSKHARECB-PYTCMNEWSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | OC[C@H]1O[C@@]2(C[C@H](NO2)c3ccc4ccccc4c3)[C@H](O)[C@@H](O)[C@@H]1O | | CACTVS 3.341 | OC[CH]1O[C]2(C[CH](NO2)c3ccc4ccccc4c3)[CH](O)[CH](O)[CH]1O | | ACDLabs 10.04 | O1C(C(O)C(O)C(O)C14ONC(c3cc2ccccc2cc3)C4)CO | | OpenEye OEToolkits 1.5.0 | c1ccc2cc(ccc2c1)C3CC4(C(C(C(C(O4)CO)O)O)O)ON3 | | OpenEye OEToolkits 1.5.0 | c1ccc2cc(ccc2c1)C3C[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)ON3 |
|
| Name: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol;
(1R)-3'-(2-naphthyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] |
| DrugBank: | DB08500 |
| ZINC: | ZINC000038965477 |
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