I3D
Summary
| Name: | 5,6-difluoro-tryptophan |
| Synonyms: | (2S)-2-azanyl-3-[5,6-bis(fluoranyl)-1H-indol-3-yl]propanoic acid |
| Formula: | C11 H10 F2 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 240.206 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[5,6-bis(fluoranyl)-1~{H}-indol-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H10F2N2O2/c12-7-2-6-5(1-9(14)11(16)17)4-15-10(6)3-8(7)13/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | XVUFOZDJRWYJQL-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1c[nH]c2cc(F)c(F)cc12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1c[nH]c2cc(F)c(F)cc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1F)F)[nH]cc2C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1F)F)[nH]cc2CC(C(=O)O)N |
