Piperacillin amide
(2S,5R,6R)-6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
Also Known As: Piperacillin amide|(2S,5R,6R)-6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide|4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxamide, 6-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-|(2S,5R,6R)-6-[(2-{[(4-Ethyl-2,3-dioxopiperazin-1-yl)(hydroxy)methylidene]amino}-1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboximidic acid|6-[(2-{[(4-Ethyl-2,3-dioxopiperazin-1-yl)(hydroxy)methylidene]amino}-1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboximidic acid
| Molecular Formula | C23H28N6O6S |
|---|---|
| Molecular Weight | 516.1791 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.1791 |
| Monoisotopic Mass | 516.1791 |
| Heavy Atoms | 36 |
| Complexity | 982.0 |
Chemical Identifiers
| CAS Number | 90686-52-5 |
|---|---|
| SMILES | CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)N |
| InChIKey | PJHKJWISCYDZQS-VVNAQIESSA-N |
Product Overview
Piperacillin amide (CAS 90686-52-5), with molecular formula C23H28N6O6S and molecular weight 516.1791 g/mol. IUPAC: (2S,5R,6R)-6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide.