A1H5X
Summary
| 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 |
| Formula: | C17 H24 N4 O6 |
| Formal charge: | 0 |
| Formula weight: | 380.396 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (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 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | 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 | InChI | 1.06 | KSCFACOHPRFOGC-RLKGDUNQSA-N |
| SMILES_CANONICAL | 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 |
| SMILES | CACTVS | 3.385 | NC[CH](O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1n2cc(nn2)c3ccccc3 |
| SMILES_CANONICAL | 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 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cn(nn2)C3C(C(C(OC3OCC(CN)O)CO)O)O |
