Base information
| Cat. No. | |
| CAS No. | 1476-46-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H19N3O7S |
| Molecular Weight | 373.382 |
| Exact Mass | 373.094 |
| XLogP3 | -0.6714 |
| Mr | 89.7265 |
| PSA | 195.56 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 45 |
| Ring number | 2 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N |
