Benzyl 3-methyl-2-[2-(4-nitrophenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-3-enoate
Basic information
- Standard SMILES
C=C(C)C(C(=O)OCc1ccccc1)N1C(=O)C(NC(=O)Cc2ccccc2)C1SS(=O)(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
PRVRGSCYZLHDRE-UHFFFAOYSA-N- Molecular formula
- C29H27N3O8S2
- Average molar mass
- 609.7 g/mol
- Monoisotopic mass
- 609.12395718
Names & identifiers
- Preferred name
- Benzyl 3-methyl-2-[2-(4-nitrophenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-3-enoate
- IUPAC
- benzyl 3-methyl-2-[2-(4-nitrophenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-3-enoate
Names & synonyms
SCHEMBL10667672
Database identifiers
- PubChem CID
- 13530987
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
1 records
Compound notes
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