Bacmecillinam
1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
| Molecular Formula | C20H31N3O6S |
|---|---|
| Molecular Weight | 441.5 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 123.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 441.19336 |
| Heavy Atoms | 30 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 50846-45-2 |
|---|---|
| SMILES | CCOC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2N=CN3CCCCCC3)(C)C |
| InChIKey | XHKFBADIZIDYBU-UCMJJCQDSA-N |
📖 Product Overview
Bacmecillinam (CAS: 50846-45-2) is a chemical compound with molecular formula C20H31N3O6S and molecular weight 441.5 g/mol. Its IUPAC systematic name is 1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
XHKFBADIZIDYBU-UCMJJCQDSA-N.
SMILES: CCOC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2N=CN3CCCCCC3)(C)C.
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