Base information
| Cat. No. | |
| CAS No. | 198328-30-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C54H95N19O19S2 |
| Molecular Weight | 1378.58 |
| Exact Mass | 1377.65 |
| XLogP3 | -1.2353 |
| Mr | 355.942 |
| PSA | 697.91 |
| Sequence | - |
| Atom number | 189 |
| Bond number | 189 |
| Ring number | 1 |
| Rotor number | 41 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)N)[C@H](O)C)C)[C@H](O)C)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)C)CC(C)C)CCCNC(=N)N)CCC(=O)N)[C@H](O)C)C)N |
