Base information
| Cat. No. | |
| CAS No. | 85916-94-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H25N5O9S |
| Molecular Weight | 511.506 |
| Exact Mass | 511.137 |
| XLogP3 | -2.0835 |
| Mr | 127.91 |
| PSA | 200.19 |
| Sequence | - |
| Atom number | 60 |
| Bond number | 63 |
| Ring number | 4 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)NC1(OC)C(=O)N2[C@H]1SCC1=C2C(=O)OC1)[C@@H](O)C |
