Base information
| Cat. No. | |
| CAS No. | 76712-82-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C66H86N18O12 |
| Molecular Weight | 1323.5 |
| Exact Mass | 1322.67 |
| XLogP3 | 3.7978 |
| Mr | 359.069 |
| PSA | 446.86 |
| Sequence | - |
| Atom number | 182 |
| Bond number | 189 |
| Ring number | 8 |
| Rotor number | 44 |
| Residues number | 0 |
| Canonical smiles | CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ncn(c1)Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)CO)CC(C)C)CCCNC(=N)N |
