| PDB CCD ID: | A1H5X |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H24 N4 O6 |
| InChI: | InChI=1S/C17H24N4O6/c18-6-11(23)9-26-17-14(16(25)15(24)13(8-22)27-17)21-7-12(19-20-21)10-4-2-1-3-5-10/h1-5,7,11,13-17,22-25H,6,8-9,18H2/t11-,13+,14-,15+,16+,17-/m0/s1 |
| InChIKey: | KSCFACOHPRFOGC-RLKGDUNQSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc(cc1)c2cn(nn2)C3C(C(C(OC3OCC(CN)O)CO)O)O | | CACTVS 3.385 | NC[CH](O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1n2cc(nn2)c3ccccc3 | | CACTVS 3.385 | NC[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1n2cc(nn2)c3ccccc3 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC[C@H](CN)O)CO)O)O |
|
| Name: | (2~{R},3~{S},4~{R},5~{S},6~{S})-6-[(2~{S})-3-azanyl-2-oxidanyl-propoxy]-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol |
