Base information
| Cat. No. | |
| CAS No. | 121880-96-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C31H38N6O9S |
| Molecular Weight | 670.733 |
| Exact Mass | 670.242 |
| XLogP3 | 2.1329 |
| Mr | 172.535 |
| PSA | 278.34 |
| Sequence | - |
| Atom number | 85 |
| Bond number | 87 |
| Ring number | 3 |
| Rotor number | 22 |
| Residues number | 0 |
| Canonical smiles | CSCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccc(cc1)O |
