3EG
Summary
| Name: | (2S)-2-amino-4,4,4-trifluorobutanoic acid |
| Formula: | C4 H6 F3 N O2 |
| Formal charge: | 0 |
| Formula weight: | 157.091 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4,4,4-trifluorobutanoic acid |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-azanyl-4,4,4-tris(fluoranyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)CC(N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | AQPCXCOPDSEKQT-REOHCLBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CC(F)(F)F)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CC(F)(F)F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C([C@@H](C(=O)O)N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.2 | C(C(C(=O)O)N)C(F)(F)F |
