Base information
| Cat. No. | |
| CAS No. | 2101505-58-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H14N8O4S3 |
| Molecular Weight | 457.486 |
| Exact Mass | 457.034 |
| XLogP3 | -0.3073 |
| Mr | 106.69 |
| PSA | 234.93 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 46 |
| Ring number | 4 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | O=[13C](N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnc(s1)C)[13CH2][15n]1cnnn1 |
