| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccc(cc1)CC(C(=O)O)N)C(Br)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C13H17BrN2O3/c1-13(2,14)12(19)16-9-5-3-8(4-6-9)7-10(15)11(17)18/h3-6,10H,7,15H2,1-2H3,(H,16,19)(H,17,18)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | ZKDRICVKKZOGNC-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Br)C(=O)Nc1ccc(C[C@H](N)C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)(Br)C(=O)Nc1ccc(C[CH](N)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N)Br |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C(=O)Nc1ccc(cc1)CC(C(=O)O)N)Br |
