| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NO)C(NC(=O)c2ccc(C#CC#Cc1ccc(N)cc1)cc2)C(O)c3ccc(O)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C26H21N3O5/c27-21-13-7-18(8-14-21)4-2-1-3-17-5-9-20(10-6-17)25(32)28-23(26(33)29-34)24(31)19-11-15-22(30)16-12-19/h5-16,23-24,30-31,34H,27H2,(H,28,32)(H,29,33)/t23-,24-/m0/s1 |
| InChIKey | InChI | 1.03 | WYPQPFTULGRIPE-ZEQRLZLVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)C#CC#Cc2ccc(cc2)C(=O)N[C@@H]([C@@H](O)c3ccc(O)cc3)C(=O)NO |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1)C#CC#Cc2ccc(cc2)C(=O)N[CH]([CH](O)c3ccc(O)cc3)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H]([C@H](c3ccc(cc3)O)O)C(=O)NO |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)NC(C(c3ccc(cc3)O)O)C(=O)NO |
