FIO
Summary
| Name: | N~5~-[(1E)-2-fluoroethanimidoyl]-L-ornithine |
| Formula: | C7 H14 F N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 191.203 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~5~-[(1E)-2-fluoroethanimidoyl]-L-ornithine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-5-(2-fluoranylethanimidoylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCNC(=[N@H])CF |
| InChI | InChI | 1.03 | InChI=1S/C7H14FN3O2/c8-4-6(10)11-3-1-2-5(9)7(12)13/h5H,1-4,9H2,(H2,10,11)(H,12,13)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | VHLCDEVOVRFHAP-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCCNC(=N)CF)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCCNC(=N)CF)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\CF)/NCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(C(=O)O)N)CNC(=N)CF |
