Base information
| Cat. No. | |
| CAS No. | 161715-24-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H31N3O6S2 |
| Molecular Weight | 497.628 |
| Exact Mass | 497.165 |
| XLogP3 | 0.9771 |
| Mr | 138.425 |
| PSA | 159.34 |
| Sequence | - |
| Atom number | 64 |
| Bond number | 67 |
| Ring number | 4 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)OCOC(=O)C(C)(C)C)SC1CN(C1)C1=NCCS1)O |
