Base information
| Cat. No. | |
| CAS No. | 113-79-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C46H65N15O12S2 |
| Molecular Weight | 1084.23 |
| Exact Mass | 1083.44 |
| XLogP3 | 1.161 |
| Mr | 295.63 |
| PSA | 512.03 |
| Sequence | - |
| Atom number | 140 |
| Bond number | 143 |
| Ring number | 4 |
| Rotor number | 23 |
| Residues number | 0 |
| Canonical smiles | NC(=O)C[C@@H]1NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CCCNC(=N)N)N |
