OUU
Summary
| Name: | (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid |
| Formula: | C11 H19 N O7 |
| Formal charge: | 0 |
| Formula weight: | 277.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H19NO7/c1-5(13)12-2-3-19-10-8(11(17)18)6(14)4-7(15)9(10)16/h6-10,14-16H,2-4H2,1H3,(H,12,13)(H,17,18)/t6-,7-,8-,9+,10+/m0/s1 |
| InChIKey | InChI | 1.06 | PCCLVLLYDLIJIM-RXKWGBCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCO[C@H]1[C@H](O)[C@@H](O)C[C@H](O)[C@@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)NCCO[CH]1[CH](O)[CH](O)C[CH](O)[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)NCCO[C@@H]1[C@H]([C@H](C[C@@H]([C@H]1O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)NCCOC1C(C(CC(C1O)O)O)C(=O)O |
