5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-
Basic information
- CAS
108146-11-8- Standard SMILES
CCCOc1ccc(C2(C(=O)N[C@@H]3C(=O)N4C(C(=O)O)=C(C)CS[C@H]34)CC2)cc1- InChIKey
WANWFMYMLBPNKL-CRAIPNDOSA-N- Molecular formula
- C21H24N2O5S
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.14059304
Names & identifiers
- Preferred name
- 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-
- IUPAC
- (6R,7R)-3-methyl-8-oxo-7-[[1-(4-propoxyphenyl)cyclopropanecarbonyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
BRN 5664701108146-11-85-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-RefChem:304983DTXSID20910637(6R,7R)-7-({Hydroxy[1-(4-propoxyphenyl)cyclopropyl]methylidene}amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-({Hydroxy[1-(4-propoxyphenyl)cyclopropyl]methylidene}amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Database identifiers
- CAS
108146-11-8- PubChem CID
- 3065486
- DTXSID
DTXSID20910637
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 739
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Compound notes
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