4FW
Summary
| Name: | 4-FLUOROTRYPTOPHANE |
| Formula: | C11 H11 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 222.216 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-fluoro-L-tryptophan |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc2c1c(F)cccc1nc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1c[nH]c2cccc(F)c12)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1c[nH]c2cccc(F)c12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)F)c(c[nH]2)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)F)c(c[nH]2)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | DEBQMEYEKKWIKC-QMMMGPOBSA-N |
