FXX
Summary
| Name: | (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid |
| Formula: | C11 H11 F3 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 292.211 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H11F3N2O4/c12-11(13,14)20-7-3-1-2-6(4-7)16-10(19)8(15)5-9(17)18/h1-4,8H,5,15H2,(H,16,19)(H,17,18)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | LHAPJSHUQJWWEP-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CC(O)=O)C(=O)Nc1cccc(OC(F)(F)F)c1 |
| SMILES | CACTVS | 3.385 | N[CH](CC(O)=O)C(=O)Nc1cccc(OC(F)(F)F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OC(F)(F)F)NC(=O)C(CC(=O)O)N |
