Base information
| Cat. No. | |
| CAS No. | 1629655-80-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C89H126N24O19S |
| Molecular Weight | 1868.17 |
| Exact Mass | 1866.94 |
| XLogP3 | 2.9029 |
| Mr | 544.383 |
| PSA | 675.44 |
| Sequence | - |
| Atom number | 259 |
| Bond number | 266 |
| Ring number | 8 |
| Rotor number | 73 |
| Residues number | 0 |
| Canonical smiles | CCCC[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2[nH]cnc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C1=O)C)CCCC)CCCNC(=N)N)C(=O)NCC(=O)N)Cc1ccccc1)C)C)CC(=O)N)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2 |
