Base information
| Cat. No. | |
| CAS No. | 111857-96-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C62H73N11O9S2 |
| Molecular Weight | 1180.44 |
| Exact Mass | 1179.5 |
| XLogP3 | 8.2685 |
| Mr | 328.742 |
| PSA | 412.45 |
| Sequence | - |
| Atom number | 157 |
| Bond number | 163 |
| Ring number | 7 |
| Rotor number | 36 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc2c(c1)cccc2)CS)C(C)C)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](c1ccc2c(c1)cccc2)N)CS)Cc1ccc(cc1)O |
