| PDB CCD ID: | KS2 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H19 N3 O5 |
| InChI: | InChI=1S/C15H19N3O5/c1-7-2-4-8(5-3-7)14-16-15(18-17-14)13-12(22)11(21)10(20)9(6-19)23-13/h2-5,9-13,19-22H,6H2,1H3,(H,16,17,18)/t9-,10-,11+,12-,13-/m1/s1 |
| InChIKey: | YAGKTBWCGRXONX-UJPOAAIJSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1ccc(cc1)c2[nH]c(nn2)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O | | OpenEye OEToolkits 2.0.5 | Cc1ccc(cc1)c2[nH]c(nn2)C3C(C(C(C(O3)CO)O)O)O | | CACTVS 3.385 | Cc1ccc(cc1)c2[nH]c(nn2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O | | OpenEye OEToolkits 2.0.5 | Cc1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
|
| Name: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol |
| ChEMBL: | CHEMBL3237966 |
| ZINC: | ZINC000169311031 |
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