4-[3,3-Diethyl-4-Oxo-1-(Phenylmethylcarbamoyl)Azetidin-2-Yl]Oxybenzoic Acid
[CAS# 143818-53-5]

Identification

• Name: 4-[3,3-Diethyl-4-Oxo-1-(Phenylmethylcarbamoyl)Azetidin-2-Yl]Oxybenzoic Acid
• Synonyms: 4-[[3,3-Diethyl-4-Oxo-1-[Oxo-(Phenylmethylamino)Methyl]-2-Azetidinyl]Oxy]Benzoic Acid; 4-[1-(Benzylcarbamoyl)-3,3-Diethyl-4-Keto-Azetidin-2-Yl]Oxybenzoic Acid; 4-Cdpca
• Molecular Formula: C₂₂H₂₄N₂O₅
• Molecular Weight: 396.44
• CAS Registry Number: 143818-53-5
• SMILES: C1=CC(=CC=C1OC2C(CC)(CC)C(N2C(=O)NCC3=CC=CC=C3)=O)C(O)=O
• InChI: 1S/C22H24N2O5/c1-3-22(4-2)19(27)24(21(28)23-14-15-8-6-5-7-9-15)20(22)29-17-12-10-16(11-13-17)18(25)26/h5-13,20H,3-4,14H2,1-2H3,(H,23,28)(H,25,26)
• InChIKey: RSZIWUYYWPZFLI-UHFFFAOYSA-N

Properties

• Density: 1.259g/cm³ (Cal.)

References

• (1): Mulchande Jalmira. The efficiency of C-4 substituents in activating the β-lactam scaffold towards serine proteases and hydroxide ion, Organic & Biomolecular Chemistry, 2007