Base information
| Cat. No. | |
| CAS No. | 1337878-62-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C104H178N26O25S2 |
| Molecular Weight | 2256.82 |
| Exact Mass | 2255.29 |
| XLogP3 | 9.8998 |
| Mr | 595.684 |
| PSA | 916.67 |
| Sequence | - |
| Atom number | 335 |
| Bond number | 336 |
| Ring number | 2 |
| Rotor number | 105 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCCNC(=N)N)Cc1ccc(cc1)O)CCCCN)CC(=O)O)[C@H](O)C)CCSC)CO)CCCNC(=N)N)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC)CCSC)CCC(=O)N)CCCCN |