IVO
Summary
| Name: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid |
| Formula: | C8 H10 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 214.175 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)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H10N2O5/c11-4-3(8(14)15)10-2-1-9-7(10)6(13)5(4)12/h1-6,11-13H,(H,14,15)/t3-,4+,5-,6+/m0/s1 |
| InChIKey | InChI | 1.06 | YLDYISMFCJKSRS-BGPJRJDNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@H](O)[C@H](n2ccnc2[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](n2ccnc2[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cn2c(n1)[C@@H]([C@H]([C@@H]([C@H]2C(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cn2c(n1)C(C(C(C2C(=O)O)O)O)O |
