Summary
| Name: | 3-AMINO-5,5-DI-FLUORO-2-KETO-PENTAN-1-OIC ACID |
| Formula: | C5 H7 F2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 167.111 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3-amino-5,5-difluoro-2-oxopentanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3S)-3-amino-5,5-difluoro-2-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C(=O)O)C(N)CC(F)F |
| InChI | InChI | 1.02b | InChI=1/C5H7F2NO3/c6-3(7)1-2(8)4(9)5(10)11/h2-3H,1,8H2,(H,10,11)/t2-/m0/s1/f/h10H |
| InChIKey | InChI | 1.02b | SIDURDZMYAFRSX-YGDXHSIUDQ |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(F)F)C(=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC(F)F)C(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)C(=O)O)N)C(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)C(=O)O)N)C(F)F |
