| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3ccc(CS(=O)(NC(C(=O)NCC(NCc1ccc(\C(=N)N)cc1)=O)COCc2ccccc2)=O)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C27H31N5O5S/c28-26(29)23-13-11-20(12-14-23)15-30-25(33)16-31-27(34)24(18-37-17-21-7-3-1-4-8-21)32-38(35,36)19-22-9-5-2-6-10-22/h1-14,24,32H,15-19H2,(H3,28,29)(H,30,33)(H,31,34)/t24-/m1/s1 |
| InChIKey | InChI | 1.03 | RXJPCNAPBKYKMA-XMMPIXPASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](COCc2ccccc2)N[S](=O)(=O)Cc3ccccc3)cc1 |
| SMILES | CACTVS | 3.385 | NC(=N)c1ccc(CNC(=O)CNC(=O)[CH](COCc2ccccc2)N[S](=O)(=O)Cc3ccccc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | [H]/N=C(\c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)COCC(C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N)NS(=O)(=O)Cc3ccccc3 |
