51T
Summary
| Name: | 2,3,6-trifluoro-L-tyrosine |
| Formula: | C9 H8 F3 N O3 |
| Formal charge: | 0 |
| Formula weight: | 235.16 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3,6-trifluoro-L-tyrosine |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-3-[2,3,6-tris(fluoranyl)-4-oxidanyl-phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(Cc1c(cc(c(c1F)F)O)F)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H8F3NO3/c10-4-2-6(14)8(12)7(11)3(4)1-5(13)9(15)16/h2,5,14H,1,13H2,(H,15,16)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | LVKGBSFEYFVENX-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1c(F)cc(O)c(F)c1F)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1c(F)cc(O)c(F)c1F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c(c(c(c(c1F)C[C@@H](C(=O)O)N)F)F)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1c(c(c(c(c1F)CC(C(=O)O)N)F)F)O |
