Base information
| Cat. No. | |
| CAS No. | 7266-47-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C95H145N29O23S |
| Molecular Weight | 2093.41 |
| Exact Mass | 2092.08 |
| XLogP3 | 3.9614 |
| Mr | 544.601 |
| PSA | 889.75 |
| Sequence | - |
| Atom number | 293 |
| Bond number | 298 |
| Ring number | 6 |
| Rotor number | 87 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCCCN)CCCCN)C(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)Cc1ccc(cc1)O)CO)CCSC)CCC(=O)O)Cc1nc[nH]c1)Cc1ccccc1)CCCNC(=N)N |
