Doripenem
(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
| Molecular Formula | C15H24N4O6S2 |
|---|---|
| Molecular Weight | 420.5 g/mol |
| LogP | -3.4 |
| Topological Polar Surface Area | 196.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.11374 |
| Heavy Atoms | 27 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 148016-81-3 |
|---|---|
| SMILES | CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CNS(=O)(=O)N)C(=O)O)C(C)O |
| InChIKey | AVAACINZEOAHHE-VFZPANTDSA-N |
📖 Product Overview
Doripenem (CAS: 148016-81-3) is a chemical compound with molecular formula C15H24N4O6S2 and molecular weight 420.5 g/mol. Its IUPAC systematic name is (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
AVAACINZEOAHHE-VFZPANTDSA-N.
SMILES: CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CNS(=O)(=O)N)C(=O)O)C(C)O.
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