Base information
| Cat. No. | |
| CAS No. | 200436-46-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C87H138N22O28S2 |
| Molecular Weight | 2004.29 |
| Exact Mass | 2002.95 |
| XLogP3 | 1.7703 |
| Mr | 505.723 |
| PSA | 873.45 |
| Sequence | - |
| Atom number | 277 |
| Bond number | 279 |
| Ring number | 3 |
| Rotor number | 82 |
| Residues number | 0 |
| Canonical smiles | CSCC[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)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)O)CS)CO)CC(C)C)CC(=O)O)CC(C)C)CCC(=O)N)Cc1c[nH]c2c1cccc2)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CCC(=O)N)CO)CC(C)C)CCC(=O)N)CC(=O)O |
