| PDB CCD ID: | 2OZ |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C13 H17 F N2 O4 S |
| InChI: | InChI=1S/C13H17FN2O4S/c14-7-1-3-8(4-2-7)15-13(21)16-5-10(18)12(20)11(19)9(16)6-17/h1-4,9-12,17-20H,5-6H2,(H,15,21)/t9-,10+,11+,12-/m1/s1 |
| InChIKey: | WPBCEOLJVINCLL-NOOOWODRSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1cc(ccc1NC(=S)N2CC(C(C(C2CO)O)O)O)F | | OpenEye OEToolkits 1.7.6 | c1cc(ccc1NC(=S)N2C[C@@H]([C@H]([C@H]([C@H]2CO)O)O)O)F | | CACTVS 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)CN1C(=S)Nc2ccc(F)cc2 | | CACTVS 3.385 | OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)Nc2ccc(F)cc2 | | ACDLabs 12.01 | S=C(Nc1ccc(F)cc1)N2C(C(O)C(O)C(O)C2)CO |
|
| Name: | (2R,3S,4R,5S)-N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide |
| ZINC: | ZINC000098208228 |
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