Base information
| Cat. No. | |
| CAS No. | 350791-64-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C45H69N5O8S |
| Molecular Weight | 840.123 |
| Exact Mass | 839.487 |
| XLogP3 | 4.8566 |
| Mr | 253.681 |
| PSA | 183.45 |
| Sequence | - |
| Atom number | 128 |
| Bond number | 131 |
| Ring number | 4 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)C[C@@H]1NC(=O)/C(=C\[C@H]2CSC(=N2)[C@@H](C)[C@@H](O)C[C@H](C)C[C@H](OC(=O)[C@H]2N(C(=O)C(N(C(=O)[C@@H](N(C1=O)C)C)C)[C@H](CC)C)CCC2)C(C)(C)C)/C |
