CAS 42057-23-8

(αR)-α-[[[3-(Methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]benzeneacetic acid

Description:

The chemical substance known as (αR)-α-[[[3-(Methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]benzeneacetic acid, with the CAS number 42057-23-8, is characterized by its complex molecular structure, which includes an imidazolidine ring and a benzeneacetic acid moiety. This compound features a methylsulfonyl group, contributing to its potential biological activity and solubility properties. The presence of the carbonyl and amino functional groups suggests that it may participate in various chemical reactions, including peptide bond formation and hydrogen bonding. Its stereochemistry, indicated by the (αR) designation, implies specific spatial arrangements that can influence its interaction with biological targets, making it relevant in medicinal chemistry. The compound may exhibit pharmacological properties, potentially acting as an inhibitor or modulator in biochemical pathways. Overall, its unique structural features and functional groups position it as a candidate for further research in drug development and therapeutic applications.

Formula: C₁₃H₁₅N₃O₆S

InChI: InChI=1S/C13H15N3O6S/c1-23(21,22)16-8-7-15(13(16)20)12(19)14-10(11(17)18)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,19)(H,17,18)/t10-/m1/s1

InChI key: InChIKey=UPCSUDZZMWWFLR-SNVBAGLBSA-N

SMILES: C(N[C@@H](C(O)=O)C1=CC=CC=C1)(=O)N2C(=O)N(S(C)(=O)=O)CC2

Synonyms:

• Benzeneacetic acid, α-[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]-, (R)-
• (αR)-α-[[[3-(Methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]benzeneacetic acid
• Benzeneacetic acid, α-[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]-, (αR)-

Mezlocillin impurity III

CAS: 42057-23-8

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Formula: C₁₃H₁₅N₃O₆S

Purity: Min. 95%

Molecular weight: 341.34 g/mol

Ref: 3D-SBA05723