Base information
| Cat. No. | |
| CAS No. | 75481-73-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H20N7NaO7S3 |
| Molecular Weight | 541.557 |
| Exact Mass | 541.048 |
| XLogP3 | -2.1456 |
| Mr | 119.215 |
| PSA | 281.59 |
| Sequence | - |
| Atom number | 54 |
| Bond number | 55 |
| Ring number | 3 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | CO[C@@]1(NC(=O)CSC[C@H](C(=O)O)N)C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnnn1C.[Na+] |
