panipenem
(5R,6S)-3-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
| Molecular Formula | C15H21N3O4S |
|---|---|
| Molecular Weight | 339.4 g/mol |
| Topological Polar Surface Area | 130.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.12527 |
| Heavy Atoms | 23 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 87726-17-8 |
|---|---|
| SMILES | CC(C1C2CC(=C(N2C1=O)C(=O)O)SC3CCN(C3)C(=N)C)O |
| InChIKey | TYMABNNERDVXID-DLYFRVTGSA-N |
📖 Product Overview
panipenem (CAS: 87726-17-8) is a chemical compound with molecular formula C15H21N3O4S and molecular weight 339.4 g/mol. Its IUPAC systematic name is (5R,6S)-3-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
TYMABNNERDVXID-DLYFRVTGSA-N.
SMILES: CC(C1C2CC(=C(N2C1=O)C(=O)O)SC3CCN(C3)C(=N)C)O.
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