Base information
| Cat. No. | |
| CAS No. | 116229-36-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C63H118N24O13S2 |
| Molecular Weight | 1483.89 |
| Exact Mass | 1482.88 |
| XLogP3 | 5.5526 |
| Mr | 423.24 |
| PSA | 681.62 |
| Sequence | - |
| Atom number | 220 |
| Bond number | 220 |
| Ring number | 1 |
| Rotor number | 39 |
| Residues number | 0 |
| Canonical smiles | CC[C@@H]([C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)[C@H](CC)C)CCCNC(=N)N)C(C)C)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CC(C)C)C |
