Base information
| Cat. No. | |
| CAS No. | 247171-44-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C88H138N20O34P2 |
| Molecular Weight | 2082.1 |
| Exact Mass | 2080.92 |
| XLogP3 | 3.2812 |
| Mr | 513.176 |
| PSA | 905.73 |
| Sequence | - |
| Atom number | 282 |
| Bond number | 285 |
| Ring number | 4 |
| Rotor number | 82 |
| 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)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)O)CCC(=O)O)CCC(=O)O)CCCCN)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CC(C)C)CCC(=O)N)CC(=O)O)CCCCN)CCC(=O)O)Cc1ccc(cc1)OP(=O)(O)O)Cc1ccc(cc1)OP(=O)(O)O |