| PDB CCD ID: | OV3 |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C11 H16 F3 N O7 |
| InChI: | 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: | LCSQNEOJAYNASK-QYYLWSOASA-N |
| SMILES: | | Software | SMILES |
|---|
| 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 | | CACTVS 3.385 | O[CH]1C[CH](O)[CH]([CH](OCCNC(=O)C(F)(F)F)[CH]1O)C(O)=O | | 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 | | OpenEye OEToolkits 3.1.0.0 | C1C(C(C(C(C1O)O)OCCNC(=O)C(F)(F)F)C(=O)O)O |
|
| 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 |
umich.edu