| PDB CCD ID: | GL4 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H12 N2 O6 S |
| InChI: | InChI=1S/C8H12N2O6S/c11-1-2-3(12)4(13)5(14)8(16-2)6(15)9-7(17)10-8/h2-5,11-14H,1H2,(H2,9,10,15,17)/t2-,3-,4+,5-,8+/m1/s1 |
| InChIKey: | OEWLGQKSTDZKFN-WWHASAIZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | OC[CH]1O[C]2(NC(=S)NC2=O)[CH](O)[CH](O)[CH]1O | | CACTVS 3.341 | OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O | | ACDLabs 10.04 | O=C2NC(=S)NC21OC(C(O)C(O)C1O)CO | | OpenEye OEToolkits 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=S)N2)O)O)O)O | | OpenEye OEToolkits 1.5.0 | C(C1C(C(C(C2(O1)C(=O)NC(=S)N2)O)O)O)O |
|
| Name: | (5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-6-oxa-1,3-diazaspiro[4.5]decan-4-one;
8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-2-THIOXO-6-OXA-1,3-DIAZA-SPIRO[4.5]DECAN-4-ONE |
| ChEMBL: | CHEMBL489798 |
| DrugBank: | DB02964 |
| ZINC: | ZINC000003931735 |
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