Base information
| Cat. No. | |
| CAS No. | 84305-41-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H21N7O7S3 |
| Molecular Weight | 519.576 |
| Exact Mass | 519.066 |
| XLogP3 | -0.8109 |
| Mr | 121.158 |
| PSA | 278.76 |
| Sequence | - |
| Atom number | 54 |
| Bond number | 56 |
| 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 |
