ZLF
Summary
| Name: | S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE |
| Synonyms: | 2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid |
| Formula: | C11 H14 F N O2 S |
| Formal charge: | 0 |
| Formula weight: | 243.298 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H14FNO2S/c1-7-2-8(4-9(12)3-7)5-16-6-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | USVLRZDFSGVOCB-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(F)cc(CSC[C@H](N)C(O)=O)c1 |
| SMILES | CACTVS | 3.385 | Cc1cc(F)cc(CSC[CH](N)C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)F)CSCC(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)F)CSCC(C(=O)O)N |
