| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1nc(C)nc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C17H15BrN4O3/c1-9-20-15(12-6-7-19-16(12)21-9)17(25)22-13(8-14(23)24)10-2-4-11(18)5-3-10/h2-7,13H,8H2,1H3,(H,22,25)(H,23,24)(H,19,20,21)/t13-/m1/s1 |
| InChIKey | InChI | 1.06 | UNULYKHBHJMUQB-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2[nH]ccc2c(n1)C(=O)N[C@H](CC(O)=O)c3ccc(Br)cc3 |
| SMILES | CACTVS | 3.385 | Cc1nc2[nH]ccc2c(n1)C(=O)N[CH](CC(O)=O)c3ccc(Br)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1nc(c2cc[nH]c2n1)C(=O)N[C@H](CC(=O)O)c3ccc(cc3)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1nc(c2cc[nH]c2n1)C(=O)NC(CC(=O)O)c3ccc(cc3)Br |
