| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1 |
| InChIKey | InChI | 1.03 | QTQMRBZOBKYXCG-MHZLTWQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c3ccccc3)C(O)=O)cc1)c4ccccn4 |
| SMILES | CACTVS | 3.385 | CN(CCOc1ccc(C[CH](Nc2ccccc2C(=O)c3ccccc3)C(O)=O)cc1)c4ccccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(CCOc1ccc(cc1)CC(C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4 |
