Base information
| Cat. No. | |
| CAS No. | 221231-10-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C78H123N23O23S2 |
| Molecular Weight | 1815.08 |
| Exact Mass | 1813.86 |
| XLogP3 | 1.776 |
| Mr | 485.553 |
| PSA | 815.3 |
| Sequence | - |
| Atom number | 249 |
| Bond number | 251 |
| Ring number | 3 |
| Rotor number | 53 |
| Residues number | 0 |
| Canonical smiles | CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCNC(=N)N)CO)C(C)C)CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccccc1)CCC(=O)N)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CC(C)C)CCCNC(=N)N)C |
