9DT
Summary
| Name: | (2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid |
| Formula: | C10 H12 F N O2 |
| Formal charge: | 0 |
| Formula weight: | 197.206 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H12FNO2/c1-10(12,9(13)14)6-7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3,(H,13,14)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | MXECDVKIKUSSNC-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@](N)(Cc1ccccc1F)C(O)=O |
| SMILES | CACTVS | 3.385 | C[C](N)(Cc1ccccc1F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@](Cc1ccccc1F)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(Cc1ccccc1F)(C(=O)O)N |
