| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3(C(=O)NC(C(=O)NC(Cc1ccccc1)B(O)O)Cc2ccccc2)cnccn3 |
| InChI | InChI | 1.03 | InChI=1S/C22H23BN4O4/c28-21(27-20(23(30)31)14-17-9-5-2-6-10-17)18(13-16-7-3-1-4-8-16)26-22(29)19-15-24-11-12-25-19/h1-12,15,18,20,30-31H,13-14H2,(H,26,29)(H,27,28)/t18-,20-/m0/s1 |
| InChIKey | InChI | 1.03 | ILENEQWIGPQYCQ-ICSRJNTNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3 |
| SMILES | CACTVS | 3.385 | OB(O)[CH](Cc1ccccc1)NC(=O)[CH](Cc2ccccc2)NC(=O)c3cnccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | B([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | B(C(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)c3cnccn3)(O)O |
