4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2alpha,5alpha,6beta)]-
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCOc1ccc2ccccc2c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O- InChIKey
GPXLMGHLHQJAGZ-UHFFFAOYSA-N- Molecular formula
- C21H22N2O5S
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.12494298
Names & identifiers
- Preferred name
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2alpha,5alpha,6beta)]-
- IUPAC
- 6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
SCHEMBL6462735GPXLMGHLHQJAGZ-UHFFFAOYSA-NNS000097014-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2.alpha.,5.alpha.,6.beta.)]-6-[(2-Ethoxy-1-naphthoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid #
Database identifiers
- PubChem CID
- 23568
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 699
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Related reactions
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Compound notes
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