A1LYV
Summary
| Name: | (2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid |
| Formula: | C17 H13 F3 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 398.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H13F3N2O6/c18-17(19,20)28-10-6-4-9(5-7-10)11-2-1-3-12(21-11)15(25)22-13(16(26)27)8-14(23)24/h1-7,13H,8H2,(H,22,25)(H,23,24)(H,26,27)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | TUTOXIPIHTUWDS-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@H](NC(=O)c1cccc(n1)c2ccc(OC(F)(F)F)cc2)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH](NC(=O)c1cccc(n1)c2ccc(OC(F)(F)F)cc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(nc(c1)C(=O)N[C@@H](CC(=O)O)C(=O)O)c2ccc(cc2)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(nc(c1)C(=O)NC(CC(=O)O)C(=O)O)c2ccc(cc2)OC(F)(F)F |
