| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ccc(CCCC(=O)NC(CC(N)=O)C(=O)O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C14H17BrN2O4/c15-10-6-4-9(5-7-10)2-1-3-13(19)17-11(14(20)21)8-12(16)18/h4-7,11H,1-3,8H2,(H2,16,18)(H,17,19)(H,20,21)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | VRZHKETUQBKIPG-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)C[C@@H](NC(=O)CCCc1ccc(Br)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=O)C[CH](NC(=O)CCCc1ccc(Br)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCCC(=O)N[C@H](CC(=O)N)C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCCC(=O)NC(CC(=O)N)C(=O)O)Br |
