Base information
| Cat. No. | |
| CAS No. | 1009815-87-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C29H42N4O5S3 |
| Molecular Weight | 622.863 |
| Exact Mass | 622.232 |
| XLogP3 | 5.1275 |
| Mr | 180.261 |
| PSA | 205.66 |
| Sequence | - |
| Atom number | 83 |
| Bond number | 85 |
| Ring number | 3 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C2=N[C@@](C(=O)N[C@H](C(=O)O1)C(C)C)(C)CS2 |
