V8R
Summary
| Name: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid |
| Formula: | C22 H22 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 410.42 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H22N2O6/c25-18-17(22(28)29)24-12-14(23-21(24)20(27)19(18)26)10-9-13-5-4-8-16(11-13)30-15-6-2-1-3-7-15/h1-8,11-12,17-20,25-27H,9-10H2,(H,28,29)/t17-,18+,19-,20+/m0/s1 |
| InChIKey | InChI | 1.06 | FCQUVPLCJSCNPK-ZGXWSNOMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@H](O)[C@H](n2cc(CCc3cccc(Oc4ccccc4)c3)nc2[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](n2cc(CCc3cccc(Oc4ccccc4)c3)nc2[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2cccc(c2)CCc3cn4c(n3)[C@@H]([C@H]([C@@H]([C@H]4C(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2cccc(c2)CCc3cn4c(n3)C(C(C(C4C(=O)O)O)O)O |
