Base information
| Cat. No. | |
| CAS No. | 85921-53-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C38H58CaN4O10S2 |
| Molecular Weight | 835.096 |
| Exact Mass | 834.322 |
| XLogP3 | 4.5892 |
| Mr | 214.501 |
| PSA | 236.16 |
| Sequence | - |
| Atom number | 113 |
| Bond number | 116 |
| Ring number | 4 |
| Rotor number | 22 |
| Residues number | 0 |
| Canonical smiles | O=C([C@H](NC(=O)C1CCCCC1)C)SC[C@H](C(=O)N1CCC[C@H]1C(=O)O[Ca]OC(=O)[C@@H]1CCCN1C(=O)[C@@H](CSC(=O)[C@H](NC(=O)C1CCCCC1)C)C)C |
