9LE
Summary
| Name: | (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{H}-imidazol-2-yl)oxane-3,4-diol |
| Formula: | C19 H21 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 355.388 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{H}-imidazol-2-yl)oxane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H21N3O4/c20-15-17(25)16(24)14(9-23)26-18(15)19-21-8-13(22-19)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,14-18,23-25H,9,20H2,(H,21,22)/t14-,15-,16-,17-,18-/m1/s1 |
| InChIKey | InChI | 1.03 | VXVNVASERGBQNT-DUQPFJRNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c2[nH]cc(n2)c3ccc4ccccc4c3 |
| SMILES | CACTVS | 3.385 | N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1c2[nH]cc(n2)c3ccc4ccccc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2cc(ccc2c1)c3c[nH]c(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2cc(ccc2c1)c3c[nH]c(n3)C4C(C(C(C(O4)CO)O)O)N |
