| PDB CCD ID: | 73E |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H17 N3 O5 |
| InChI: | InChI=1S/C14H17N3O5/c18-6-8-9(19)10(20)11(21)12(22-8)14-15-13(16-17-14)7-4-2-1-3-5-7/h1-5,8-12,18-21H,6H2,(H,15,16,17)/t8-,9-,10+,11-,12-/m1/s1 |
| InChIKey: | GTQQOMHOHKJYAX-RMPHRYRLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.5 | c1ccc(cc1)c2[nH]c(nn2)C3C(C(C(C(O3)CO)O)O)O | | OpenEye OEToolkits 2.0.5 | c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | | CACTVS 3.385 | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccccc3 | | CACTVS 3.385 | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2[nH]c(nn2)c3ccccc3 |
|
| Name: | (1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol;
(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol |
| ChEMBL: | CHEMBL2408224 |
| ZINC: | ZINC000096273226 |
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