Base information
| Cat. No. | |
| CAS No. | 81129-83-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H25N2NaO5S |
| Molecular Weight | 380.435 |
| Exact Mass | 380.138 |
| XLogP3 | 1.1891 |
| Mr | 91.0794 |
| PSA | 157.85 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 49 |
| Ring number | 1 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | OC(=O)[C@H](CSCCCC/C=C(/C(=O)[O-])\NC(=O)[C@H]1CC1(C)C)N.[Na+] |
