| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(CC(N)Cc1ccccc1)C(N)Cc3ccc(c2cccnc2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](C[C@H](O)[C@@H](N)Cc1ccc(cc1)c2cccnc2)Cc3ccccc3 |
| SMILES | CACTVS | 3.370 | N[CH](C[CH](O)[CH](N)Cc1ccc(cc1)c2cccnc2)Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccc(cc2)c3cccnc3)N)O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CC(CC(C(Cc2ccc(cc2)c3cccnc3)N)O)N |
| InChI | InChI | 1.03 | InChI=1S/C23H27N3O/c24-21(13-17-5-2-1-3-6-17)15-23(27)22(25)14-18-8-10-19(11-9-18)20-7-4-12-26-16-20/h1-12,16,21-23,27H,13-15,24-25H2/t21-,22-,23-/m0/s1 |
| InChIKey | InChI | 1.03 | WMWFJAPKMZNXGW-VABKMULXSA-N |
