| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(NCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C)C |
| InChI | InChI | 1.03 | InChI=1S/C20H26N6O4S3/c1-11-18(12(2)32-20-24-16(21)10-17(22)25-20)26-19(31-11)13-5-6-14(29-3)15(9-13)30-8-7-23-33(4,27)28/h5-6,9-10,12,23H,7-8H2,1-4H3,(H4,21,22,24,25)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | MBPWFMBRNJJXFY-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1OCCN[S](C)(=O)=O)c2sc(C)c(n2)[C@@H](C)Sc3nc(N)cc(N)n3 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1OCCN[S](C)(=O)=O)c2sc(C)c(n2)[CH](C)Sc3nc(N)cc(N)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)[C@@H](C)Sc3nc(cc(n3)N)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)C(C)Sc3nc(cc(n3)N)N |
