Benzhydryl (2R-(1(E),2alpha,3alpha))-alpha-(1-methoxyethylidene)-4-oxo-3-((phenoxyacetyl)amino)-2-(((p-tolyl)sulphonyl)thio)azetidine-1-acetate

HCID 5484263

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Basic information

CAS: 57605-30-8
Standard SMILES: CO/C(C)=C(\C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)[C@H]1SS(=O)(=O)c1ccc(C)cc1
InChIKey: NYBNBJUAHGUHSR-WAUQPKMTSA-N
Molecular formula: C36H34N2O8S2
Average molar mass: 686.8 g/mol
Monoisotopic mass: 686.17565839

Names & identifiers

Preferred name: Benzhydryl (2R-(1(E),2alpha,3alpha))-alpha-(1-methoxyethylidene)-4-oxo-3-((phenoxyacetyl)amino)-2-(((p-tolyl)sulphonyl)thio)azetidine-1-acetate
IUPAC: benzhydryl (E)-3-methoxy-2-[(2R)-2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-2-enoate

Names & synonyms

57605-30-8EINECS 260-845-8Benzhydryl (2R-(1(E),2alpha,3alpha))-alpha-(1-methoxyethylidene)-4-oxo-3-((phenoxyacetyl)amino)-2-(((p-tolyl)sulphonyl)thio)azetidine-1-acetate

Database identifiers

CAS: 57605-30-8
PubChem CID: 5484263
EC Number: 260-845-8

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 162 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 14
Heavy atoms: 48
Formal charge: 0
Complexity: 1,220

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