Base information
| Cat. No. | |
| CAS No. | 214556-79-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C104H169N35O19S |
| Molecular Weight | 2245.74 |
| Exact Mass | 2244.31 |
| XLogP3 | 10.0582 |
| Mr | 598.545 |
| PSA | 981.54 |
| Sequence | - |
| Atom number | 328 |
| Bond number | 332 |
| Ring number | 5 |
| Rotor number | 98 |
| 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[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCCN)Cc1c[nH]c2c1cccc2)CCCCN)CCSC)CCCNC(=N)N)CCCNC(=N)N)CC(=O)N)CCC(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)[C@H](CC)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCC(=O)N |
