Base information
| Cat. No. | |
| CAS No. | 85960-17-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H43N6NaO9S |
| Molecular Weight | 662.731 |
| Exact Mass | 662.271 |
| XLogP3 | 0.6889 |
| Mr | 165.314 |
| PSA | 283.6 |
| Sequence | - |
| Atom number | 88 |
| Bond number | 88 |
| Ring number | 3 |
| Rotor number | 19 |
| Residues number | 0 |
| Canonical smiles | C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)NCCNC=N)O.OC(=O)[C@@H](CSCCCC/C=C(/C(=O)[O-])\NC(=O)[C@H]1CC1(C)C)N.[Na+] |
