Base information
| Cat. No. | |
| CAS No. | 2989-84-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C46H64N12O12S2 |
| Molecular Weight | 1041.2 |
| Exact Mass | 1040.42 |
| XLogP3 | 1.8986 |
| Mr | 286.531 |
| PSA | 450.13 |
| Sequence | - |
| Atom number | 136 |
| Bond number | 139 |
| Ring number | 4 |
| Rotor number | 22 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1 |
