OV3
Summary
| Name: | (1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid |
| Formula: | C11 H16 F3 N O7 |
| Formal charge: | 0 |
| Formula weight: | 331.242 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})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H16F3NO7/c12-11(13,14)10(21)15-1-2-22-8-6(9(19)20)4(16)3-5(17)7(8)18/h4-8,16-18H,1-3H2,(H,15,21)(H,19,20)/t4-,5-,6-,7+,8+/m0/s1 |
| InChIKey | InChI | 1.06 | LCSQNEOJAYNASK-QYYLWSOASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C[C@H](O)[C@@H]([C@@H](OCCNC(=O)C(F)(F)F)[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1C[CH](O)[CH]([CH](OCCNC(=O)C(F)(F)F)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)OCCNC(=O)C(F)(F)F)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1C(C(C(C(C1O)O)OCCNC(=O)C(F)(F)F)C(=O)O)O |
