MF3
Summary
| Name: | 2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID |
| Synonyms: | TRIFLUOROMETHIONINE |
| Formula: | C5 H8 F3 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 203.183 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | trifluoro-L-methionine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-(trifluoromethylsulfanyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC(F)(F)SCCC(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCSC(F)(F)F)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCSC(F)(F)F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CSC(F)(F)F)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CSC(F)(F)F)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H8F3NO2S/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | YLJLTSVBCXYTQK-VKHMYHEASA-N |
