| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CNC(=O)C2N1C(=O)CCC(N(C1)CSC2)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CNC(=O)[C@@H]1CSCN2CN1C(=O)CC[C@H]2C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)CNC(=O)[CH]1CSCN2CN1C(=O)CC[CH]2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CC(=O)N2C[N@]([C@@H]1C(=O)O)CSC[C@H]2C(=O)NCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(=O)N2CN(C1C(=O)O)CSCC2C(=O)NCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H17N3O6S/c16-9-2-1-7(12(20)21)14-5-15(9)8(4-22-6-14)11(19)13-3-10(17)18/h7-8H,1-6H2,(H,13,19)(H,17,18)(H,20,21)/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | FNEMNSFAPZMNDP-YUMQZZPRSA-N |
