Base information
| Cat. No. | |
| CAS No. | 742092-03-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C86H109N21O26S2 |
| Molecular Weight | 1917.04 |
| Exact Mass | 1915.73 |
| XLogP3 | 3.3308 |
| Mr | 493.067 |
| PSA | 772.34 |
| Sequence | - |
| Atom number | 244 |
| Bond number | 255 |
| Ring number | 12 |
| Rotor number | 53 |
| Residues number | 0 |
| Canonical smiles | COc1cc2N(C)[C@@H]3[C@@]4(c2cc1[C@]1(C[C@H]2C[N@@](CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CCN1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)NNC(=O)OCCSSC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@@H](C(=O)O)NC(=O)c2ccc(cc2)NCc2c[nH]c3-c(n2)c(=O)nc(n3)N)CC(=O)O)CCCNC(=N)N)CC(=O)O)CC(=O)O)O)(CC)C=CC1 |
