| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Cc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCc1cccnc1 |
| InChI | InChI | 1.03 | InChI=1S/C31H32N4O2S/c36-30(19-26-13-7-15-32-20-26)35-28(17-24-9-3-1-4-10-24)23-38-29(18-25-11-5-2-6-12-25)31(37)34-22-27-14-8-16-33-21-27/h1-16,20-21,28-29H,17-19,22-23H2,(H,34,37)(H,35,36)/t28-,29+/m0/s1 |
| InChIKey | InChI | 1.03 | VWKVVAQTDPSAGA-URLMMPGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1cccnc1)N[C@H](CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3)Cc4ccccc4 |
| SMILES | CACTVS | 3.385 | O=C(Cc1cccnc1)N[CH](CS[CH](Cc2ccccc2)C(=O)NCc3cccnc3)Cc4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@@H](CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3)NC(=O)Cc4cccnc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(CSC(Cc2ccccc2)C(=O)NCc3cccnc3)NC(=O)Cc4cccnc4 |
