| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O2c5c(SC(c1ccc(O)cc1)C2c4ccc(OCC(N3CCCC3)C)cc4)cc(O)cc5 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](COc1ccc(cc1)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c4ccc(O)cc4)N5CCCC5 |
| SMILES | CACTVS | 3.341 | C[CH](COc1ccc(cc1)[CH]2Oc3ccc(O)cc3S[CH]2c4ccc(O)cc4)N5CCCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(COc1ccc(cc1)C2C(Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5 |
| InChI | InChI | 1.03 | InChI=1S/C27H29NO4S/c1-18(28-14-2-3-15-28)17-31-23-11-6-19(7-12-23)26-27(20-4-8-21(29)9-5-20)33-25-16-22(30)10-13-24(25)32-26/h4-13,16,18,26-27,29-30H,2-3,14-15,17H2,1H3/t18-,26+,27-/m1/s1 |
| InChIKey | InChI | 1.03 | UZOOIPXOYYJULJ-BLIZRMSTSA-N |
