Base information
| Cat. No. | |
| CAS No. | 1369773-39-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C48H56CaN2O10 |
| Molecular Weight | 861.044 |
| Exact Mass | 860.356 |
| XLogP3 | 5.7824 |
| Mr | 227.674 |
| PSA | 191.06 |
| Sequence | - |
| Atom number | 117 |
| Bond number | 118 |
| Ring number | 4 |
| Rotor number | 26 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)[C@@H](C[C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)CCC(=O)[O-])C.CCOC(=O)[C@@H](C[C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)CCC(=O)[O-])C.[Ca+2] |
