CAS 176036-41-2: 1-[(2S)-3-Mercapto-2-methyl-1-oxopropyl]-L-proline methyl ester

Description: 1-[(2S)-3-Mercapto-2-methyl-1-oxopropyl]-L-proline methyl ester, with the CAS number 176036-41-2, is a chemical compound characterized by its unique structure that includes a proline backbone, a mercapto group, and a methyl ester functional group. This compound is notable for its potential biological activity, particularly in the context of peptide synthesis and as a building block in medicinal chemistry. The presence of the mercapto group suggests that it may participate in redox reactions or form disulfide bonds, which are important in protein structure and function. The methyl ester moiety can enhance lipophilicity, potentially influencing the compound's solubility and permeability in biological systems. Additionally, the stereochemistry indicated by the (2S) configuration is crucial for its biological interactions, as chirality can significantly affect the pharmacological properties of amino acid derivatives. Overall, this compound may have applications in drug development and biochemical research, particularly in studies related to thiol chemistry and peptide synthesis.

Formula: C₁₀H₁₇NO₃S

InChI: InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-5-3-4-8(11)10(13)14-2/h7-8,15H,3-6H2,1-2H3/t7-,8+/m1/s1

InChI key: InChIKey=NJJLWDSRKWBYRY-SFYZADRCSA-N

SMILES: O=C(OC)C1N(C(=O)C(C)CS)CCC1

Synonyms:

• 1-[(2S)-3-Mercapto-2-methyl-1-oxopropyl]-L-proline methyl ester
• Captopril methyl ester
• L-Proline, 1-(3-mercapto-2-methyl-1-oxopropyl)-, methyl ester, (S)-
• L-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-, methyl ester

Captopril Methyl Ester

CAS: 176036-41-2

• Formula: C₁₀H₁₇NO₃S
• Color and Shape: Neat
• Molecular weight: 231.31

Methyl (2S)-1-((2S)-2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylate

CAS: 176036-41-2

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• Formula: C₁₀H₁₇NO₃S
• Purity: Min. 95%
• Molecular weight: 231.31 g/mol