Base information
| Cat. No. | |
| CAS No. | 111844-17-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C35H57N13O14S2 |
| Molecular Weight | 948.036 |
| Exact Mass | 947.359 |
| XLogP3 | -2.3306 |
| Mr | 252.378 |
| PSA | 486.46 |
| Sequence | - |
| Atom number | 121 |
| Bond number | 122 |
| Ring number | 2 |
| Rotor number | 15 |
| Residues number | 0 |
| Canonical smiles | NCC(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](C(=O)O)C)CCC2)CO |
