Base information
| Cat. No. | |
| CAS No. | 1427001-89-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C83H117N23O18S2 |
| Molecular Weight | 1789.09 |
| Exact Mass | 1787.84 |
| XLogP3 | 4.927 |
| Mr | 507.667 |
| PSA | 692.35 |
| Sequence | - |
| Atom number | 243 |
| Bond number | 249 |
| Ring number | 7 |
| Rotor number | 33 |
| Residues number | 0 |
| Canonical smiles | CC[C@@H]([C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2[nH]cnc2)NC(=O)[C@H](C)NC(=O)CN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc1cn(c2c1cccc2)C)CCC(=O)N)CC(=O)O)Cc1c[nH]c2c1cccc2)C)C(=O)N([C@@H]([C@H](CC)C)C(=O)N)C)NC(=O)[C@@H](Cc1ccc(cc1)O)N)C |
