Base information
| Cat. No. | |
| CAS No. | 14636-12-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C52H74N16O15S2 |
| Molecular Weight | 1227.37 |
| Exact Mass | 1226.5 |
| XLogP3 | 0.0574 |
| Mr | 327.085 |
| PSA | 563.45 |
| Sequence | - |
| Atom number | 159 |
| Bond number | 162 |
| Ring number | 4 |
| Rotor number | 31 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=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 |
