| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC3CCCN(c2nc(SCCC)c(C(=O)NC1CCCCC1)cc2)C3 |
| InChI | InChI | 1.03 | InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | NCDZABJPWMBMIQ-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCSc1nc(ccc1C(=O)NC2CCCCC2)N3CCC[C@H](C3)CC(O)=O |
| SMILES | CACTVS | 3.370 | CCCSc1nc(ccc1C(=O)NC2CCCCC2)N3CCC[CH](C3)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCSc1c(ccc(n1)N2CCC[C@H](C2)CC(=O)O)C(=O)NC3CCCCC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCSc1c(ccc(n1)N2CCCC(C2)CC(=O)O)C(=O)NC3CCCCC3 |
