DFI
Summary
| Name: | 2,2-DIFLUOROSTATINE |
| Formula: | C8 H15 F2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 211.206 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-6-methylheptanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-6-methyl-heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC(F)(C(=O)O)C(O)C(N)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@H](N)[C@@H](O)C(F)(F)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](N)[CH](O)C(F)(F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@@H]([C@H](C(C(=O)O)(F)F)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(C(C(=O)O)(F)F)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H15F2NO3/c1-4(2)3-5(11)6(12)8(9,10)7(13)14/h4-6,12H,3,11H2,1-2H3,(H,13,14)/t5-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | SUJALIOOVGLZNM-NTSWFWBYSA-N |
