Base information
| Cat. No. | |
| CAS No. | 140653-27-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C42H71N13O14S2 |
| Molecular Weight | 1046.22 |
| Exact Mass | 1045.47 |
| XLogP3 | -0.5625 |
| Mr | 275.904 |
| PSA | 485.47 |
| Sequence | - |
| Atom number | 142 |
| Bond number | 143 |
| Ring number | 2 |
| Rotor number | 26 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H]2N(C1=O)CCC2)C(=O)N[C@H](C(=O)O)C(C)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)N)C |
