Base information
| Cat. No. | |
| CAS No. | 439087-18-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C36H45N3O7S2 |
| Molecular Weight | 695.888 |
| Exact Mass | 695.27 |
| XLogP3 | 8.0654 |
| Mr | 192.315 |
| PSA | 175.79 |
| Sequence | - |
| Atom number | 93 |
| Bond number | 96 |
| Ring number | 4 |
| Rotor number | 18 |
| Residues number | 0 |
| Canonical smiles | CCCCC1(CCCC)CN(c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)SC)OCC(=O)N[C@H](c1ccccc1)C(=O)NCC(=O)O |
