| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | O[C@H]([C@@H](O)C(=O)N1CCN(CC1)c2ccccc2Cl)C(=O)NCCc3sccc3 |
| SMILES | CACTVS | 3.352 | O[CH]([CH](O)C(=O)N1CCN(CC1)c2ccccc2Cl)C(=O)NCCc3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)N2CCN(CC2)C(=O)[C@@H]([C@H](C(=O)NCCc3cccs3)O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)N2CCN(CC2)C(=O)C(C(C(=O)NCCc3cccs3)O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C20H24ClN3O4S/c21-15-5-1-2-6-16(15)23-9-11-24(12-10-23)20(28)18(26)17(25)19(27)22-8-7-14-4-3-13-29-14/h1-6,13,17-18,25-26H,7-12H2,(H,22,27)/t17-,18-/m1/s1 |
| InChIKey | InChI | 1.03 | AZEKZZSSVLIPCQ-QZTJIDSGSA-N |
