| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=NC(=O)C(NC(=O)c2ccc(C#CC#Cc1ccc(N)cc1)cc2)C(O)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc2ccc(N)cc2)C(=O)N=O |
| SMILES | CACTVS | 3.370 | C[CH](O)[CH](NC(=O)c1ccc(cc1)C#CC#Cc2ccc(N)cc2)C(=O)N=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O |
| InChI | InChI | 1.03 | InChI=1S/C21H17N3O4/c1-14(25)19(21(27)24-28)23-20(26)17-10-6-15(7-11-17)4-2-3-5-16-8-12-18(22)13-9-16/h6-14,19,25H,22H2,1H3,(H,23,26)/t14-,19-/m0/s1 |
| InChIKey | InChI | 1.03 | DRMPSCRMGWDCMO-LIRRHRJNSA-N |
