Base information
| Cat. No. | |
| CAS No. | 171926-86-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C46H60N12O13 |
| Molecular Weight | 989.041 |
| Exact Mass | 988.44 |
| XLogP3 | 1.9529 |
| Mr | 252.183 |
| PSA | 408.09 |
| Sequence | - |
| Atom number | 131 |
| Bond number | 134 |
| Ring number | 4 |
| Rotor number | 36 |
| Residues number | 0 |
| Canonical smiles | CC(C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)C)Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)CCC(=O)O)C |
