HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-acetyl-glutamylsulfamethoxazole
N-acetyl-glutamylsulfamethoxazole · L-Glutamine, N2-acetyl-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-
Identifiers & Physical Properties
| CAS No. | 72756-69-5 |
|---|---|
| Molecular formula | C17H20N4O7S |
| Average molar mass | 424.4 g/mol |
| Monoisotopic mass | 424.10527016 g/mol |
| SMILES | CC(=O)N(c1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)[C@@H](CCC(N)=O)C(=O)O |
| InChIKey | DMSYWUMJYPNFOY-AWEZNQCLSA-N |
| PubChem CID | 175147 |
| DTXSID | DTXSID30223063 |
Chemical & Physical Properties
| XLogP | -0.2 |
|---|---|
| Topological polar surface area | 181 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 9 |
| Rotatable bonds | 9 |
| Heavy atoms | 29 |
| Formal charge | 0 |
| Complexity | 716 |