Base information
| Cat. No. | |
| CAS No. | 207678-81-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C71H94N20O17S2 |
| Molecular Weight | 1563.76 |
| Exact Mass | 1562.65 |
| XLogP3 | 3.1071 |
| Mr | 435.976 |
| PSA | 632.3 |
| Sequence | - |
| Atom number | 204 |
| Bond number | 211 |
| Ring number | 8 |
| Rotor number | 33 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@@H](C(=O)N)CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@H](NC(=O)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2nc[nH]c2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 |
