A1CH8
Summary
| Name: | N~5~-[N-(2,2,2-trifluoroethyl)carbamimidoyl]-L-ornithine |
| Formula: | C8 H15 F3 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 256.226 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N~5~-[N-(2,2,2-trifluoroethyl)carbamimidoyl]-L-ornithine |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-2-azanyl-5-[[~{N}-[2,2,2-tris(fluoranyl)ethyl]carbamimidoyl]amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(CCCNC(=N)NCC(F)(F)F)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C8H15F3N4O2/c9-8(10,11)4-15-7(13)14-3-1-2-5(12)6(16)17/h5H,1-4,12H2,(H,16,17)(H3,13,14,15)/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | VGNPGMUVLKJSNX-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCNC(=N)NCC(F)(F)F)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCNC(=N)NCC(F)(F)F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCC(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(CC(C(=O)O)N)CNC(=N)NCC(F)(F)F |
