Base information
| Cat. No. | |
| CAS No. | 129636-38-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H23N3O7S |
| Molecular Weight | 413.445 |
| Exact Mass | 413.126 |
| XLogP3 | 0.9852 |
| Mr | 101.346 |
| PSA | 204.35 |
| Sequence | - |
| Atom number | 51 |
| Bond number | 51 |
| Ring number | 1 |
| Rotor number | 14 |
| Residues number | 0 |
| Canonical smiles | O=C(N[C@H](C(=O)NCC(=O)O)CSCc1ccc(cc1)O)CC[C@@H](C(=O)O)N |
