| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C3CCC(c2nc(c1sccc1CC)cnc2N)CC3 |
| SMILES_CANONICAL | CACTVS | 3.352 | CCc1ccsc1c2cnc(N)c(n2)[C@H]3CC[C@@H](CC3)C(O)=O |
| SMILES | CACTVS | 3.352 | CCc1ccsc1c2cnc(N)c(n2)[CH]3CC[CH](CC3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CCc1ccsc1c2cnc(c(n2)C3CCC(CC3)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | CCc1ccsc1c2cnc(c(n2)C3CCC(CC3)C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C17H21N3O2S/c1-2-10-7-8-23-15(10)13-9-19-16(18)14(20-13)11-3-5-12(6-4-11)17(21)22/h7-9,11-12H,2-6H2,1H3,(H2,18,19)(H,21,22)/t11-,12- |
| InChIKey | InChI | 1.03 | QTTNDIPJKXHHFL-HAQNSBGRSA-N |
