JJW
Summary
| Name: | (2~{S},3~{S},4~{R})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol |
| Formula: | C17 H24 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 348.397 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S},4~{R})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H24N4O4/c1-2-24-7-8-25-13-5-3-12(4-6-13)14-10-21(20-19-14)11-15-17(23)16(22)9-18-15/h3-6,10,15-18,22-23H,2,7-9,11H2,1H3/t15-,16+,17-/m0/s1 |
| InChIKey | InChI | 1.03 | NXQXJVDZMOHAEW-BBWFWOEESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOCCOc1ccc(cc1)c2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2 |
| SMILES | CACTVS | 3.385 | CCOCCOc1ccc(cc1)c2cn(C[CH]3NC[CH](O)[CH]3O)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOCCOc1ccc(cc1)c2cn(nn2)CC3C(C(CN3)O)O |
