TFW
Summary
| Name: | 5,6,7-trifluoro-tryptophan |
| Synonyms: | (2S)-2-azanyl-3-[5,6,7-tris(fluoranyl)-1H-indol-3-yl]propanoic acid |
| Formula: | C11 H9 F3 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 258.197 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[5,6,7-tris(fluoranyl)-1~{H}-indol-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H9F3N2O2/c12-6-2-5-4(1-7(15)11(17)18)3-16-10(5)9(14)8(6)13/h2-3,7,16H,1,15H2,(H,17,18)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | HXKYSCPIZTWTQH-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1c[nH]c2c(F)c(F)c(F)cc12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1c[nH]c2c(F)c(F)c(F)cc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(c[nH]c2c(c(c1F)F)F)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(c[nH]c2c(c(c1F)F)F)CC(C(=O)O)N |
