Base information
| Cat. No. | |
| CAS No. | 205923-56-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C107H179N35O36S7 |
| Molecular Weight | 2756.23 |
| Exact Mass | 2754.13 |
| XLogP3 | -3.7063 |
| Mr | 681.213 |
| PSA | 1408.57 |
| Sequence | - |
| Atom number | 364 |
| Bond number | 364 |
| Ring number | 1 |
| Rotor number | 122 |
| 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)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)C=S)CCCNC(=N)N)C(C)C)[C@H](O)C)CO)C=S)CO)CO)C=S)CS)CC(=O)O)Cc1ccc(cc1)O)CCSC)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)N)CCCCN)CO)CCCCN)C)CCCCN)CS)CO |
