| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC(CSCC(NC(=O)CCCCCCCCCCCCCC)C(=O)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C50H95NO7S/c1-4-7-10-13-16-19-22-24-26-29-31-34-37-40-48(53)57-42-45(58-49(54)41-38-35-32-28-21-18-15-12-9-6-3)43-59-44-46(50(55)56)51-47(52)39-36-33-30-27-25-23-20-17-14-11-8-5-2/h45-46H,4-44H2,1-3H3,(H,51,52)(H,55,56)/t45-,46+/m0/s1 |
| InChIKey | InChI | 1.03 | LRDSOWCGPSRBHX-CRCOQUFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](CSC[C@@H](NC(=O)CCCCCCCCCCCCCC)C(O)=O)OC(=O)CCCCCCCCCCCC |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)OC[CH](CSC[CH](NC(=O)CCCCCCCCCCCCCC)C(O)=O)OC(=O)CCCCCCCCCCCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](CSC[C@H](C(=O)O)NC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)O)NC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC |
