Base information
| Cat. No. | |
| CAS No. | 21150-22-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C39H53N9O15S |
| Molecular Weight | 919.954 |
| Exact Mass | 919.338 |
| XLogP3 | -2.2157 |
| Mr | 251.441 |
| PSA | 394.3 |
| Sequence | - |
| Atom number | 117 |
| Bond number | 121 |
| Ring number | 5 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | OC[C@@H]([C@@H]([C@@H]1NC(=O)[C@@H]2CC(CN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CS(=O)c3c(C[C@H](NC1=O)C(=O)NCC(=O)N[C@@H](C(CC)C)C(=O)NCC(=O)N2)c1ccc(cc1[nH]3)O)O)C)O |
