Tacapenem
(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3R)-5-oxopyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
| Molecular Formula | C14H18N2O5S |
|---|---|
| Molecular Weight | 326.37 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 132.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.09363 |
| Heavy Atoms | 22 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 193811-33-5 |
|---|---|
| SMILES | CC1C2C(C(=O)N2C(=C1SC3CC(=O)NC3)C(=O)O)C(C)O |
| InChIKey | CTEFNVKDRWMZSL-CTNSIQBBSA-N |
📖 Product Overview
Tacapenem (CAS: 193811-33-5) is a chemical compound with molecular formula C14H18N2O5S and molecular weight 326.37 g/mol. Its IUPAC systematic name is (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3R)-5-oxopyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
CTEFNVKDRWMZSL-CTNSIQBBSA-N.
SMILES: CC1C2C(C(=O)N2C(=C1SC3CC(=O)NC3)C(=O)O)C(C)O.
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