Base information
| Cat. No. | |
| CAS No. | 76648-01-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H28N9NaO9S2 |
| Molecular Weight | 649.632 |
| Exact Mass | 649.135 |
| XLogP3 | -3.5746 |
| Mr | 152.448 |
| PSA | 282.92 |
| Sequence | - |
| Atom number | 71 |
| Bond number | 73 |
| Ring number | 4 |
| Rotor number | 13 |
| Residues number | 0 |
| Canonical smiles | CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@]1(OC)C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnnn1C)[C@@H](O)C.[Na+] |
