Base information
| Cat. No. | |
| CAS No. | 89-38-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C29H33N9O12 |
| Molecular Weight | 699.625 |
| Exact Mass | 699.225 |
| XLogP3 | 0.4329 |
| Mr | 168.652 |
| PSA | 346.08 |
| Sequence | - |
| Atom number | 83 |
| Bond number | 85 |
| Ring number | 3 |
| Rotor number | 22 |
| Residues number | 0 |
| Canonical smiles | O=C(N[C@H](C(=O)O)CCC(=O)N[C@H](C(=O)O)CCC(=O)O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1c[nH]c2-c(n1)c(=O)nc(n2)N |
