I58
Summary
| Name: | 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE |
| Formula: | C8 H16 F N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 205.23 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4R)-N~6~-[(1Z)-ethanimidoyl]-4-fluoro-L-lysine |
| OpenEye OEToolkits | 1.5.0 | (2S,4R)-2-amino-6-(ethanimidoylamino)-4-fluoro-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC(CCNC(=[N@H])C)CC(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=N)NCC[C@@H](F)C[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=N)NCC[CH](F)C[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/C)\NCC[C@H](C[C@@H](C(=O)O)N)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(C)NCCC(CC(C(=O)O)N)F |
| InChI | InChI | 1.03 | InChI=1S/C8H16FN3O2/c1-5(10)12-3-2-6(9)4-7(11)8(13)14/h6-7H,2-4,11H2,1H3,(H2,10,12)(H,13,14)/t6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | LTCJJIZTKXNFGK-RQJHMYQMSA-N |
