FLA
Summary
| Name: | TRIFLUOROALANINE |
| Formula: | C3 H4 F3 N O2 |
| Formal charge: | 0 |
| Formula weight: | 143.065 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,3,3-trifluoro-D-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3,3,3-trifluoro-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC(F)(F)C(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](C(O)=O)C(F)(F)F |
| SMILES | CACTVS | 3.341 | N[CH](C(O)=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [C@H](C(=O)O)(C(F)(F)F)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)(C(F)(F)F)N |
| InChI | InChI | 1.03 | InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)/t1-/m0/s1 |
| InChIKey | InChI | 1.03 | HMJQKIDUCWWIBW-SFOWXEAESA-N |
