CAS 65084-34-6

(2R)-4-(methylsulfanyl)-2-{[(3-nitrophenyl)carbonyl]amino}butanoate

Description:

The chemical substance known as (2R)-4-(methylsulfanyl)-2-{[(3-nitrophenyl)carbonyl]amino}butanoate, with the CAS number 65084-34-6, is an organic compound characterized by its specific stereochemistry and functional groups. It features a butanoate backbone, which is a four-carbon chain with a carboxylate group, and includes a methylsulfanyl group that introduces a sulfur atom into its structure, enhancing its reactivity and potential biological activity. The presence of a 3-nitrophenyl carbonyl moiety indicates that it may participate in various chemical reactions, such as nucleophilic substitutions or acylation processes. This compound is likely to exhibit polar characteristics due to the presence of the carboxylate and nitro groups, which can influence its solubility in polar solvents. Additionally, the stereochemistry at the second carbon (2R) suggests that it may have specific interactions in biological systems, potentially affecting its pharmacological properties. Overall, this compound's unique structure may render it of interest in medicinal chemistry and related fields.

Formula: C₁₂H₁₃N₂O₅S

InChI: InChI=1/C12H14N2O5S/c1-20-6-5-10(12(16)17)13-11(15)8-3-2-4-9(7-8)14(18)19/h2-4,7,10H,5-6H2,1H3,(H,13,15)(H,16,17)/p-1/t10-/m1/s1

SMILES: CSCC[C@H](C(=O)O)N=C(c1cccc(c1)N(=O)=O)[O-]

4-(Methylthio)-2-[(3-nitrobenzoyl)amino]butanoic acid

CAS: 65084-34-6

Versatile small molecule scaffold

Formula: C₁₂H₁₄N₂O₅S

Purity: Min. 95%

Molecular weight: 298.32 g/mol

Ref: 3D-QCA08434