Base information
| Cat. No. | |
| CAS No. | 126703-17-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C56H79N17O14S3 |
| Molecular Weight | 1310.53 |
| Exact Mass | 1309.52 |
| XLogP3 | 2.3925 |
| Mr | 361.38 |
| PSA | 581.54 |
| Sequence | - |
| Atom number | 169 |
| Bond number | 174 |
| Ring number | 6 |
| Rotor number | 30 |
| Residues number | 0 |
| Canonical smiles | O=C(N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)Cc1ccccc1)CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CCCNC(=N)N)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 |
