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CAS 202467-69-4

:

3-[[[(2S,4S)-4-MERCAPTO-2-PYRROLIDINYL-1-(4-NITROBENZYLOXY)CARBONYL]CARBONYL]AMINO]BENZOIC ACID

Description:
The chemical substance known as 3-[[[(2S,4S)-4-mercapto-2-pyrrolidinyl-1-(4-nitrobenzyloxy)carbonyl]carbonyl]amino]benzoic acid, with the CAS number 202467-69-4, is a complex organic compound characterized by its unique structural features. It contains a benzoic acid moiety, which contributes to its acidity and potential for forming salts. The presence of a mercapto group (-SH) indicates that it may exhibit thiol-related reactivity, such as forming disulfide bonds or participating in redox reactions. The pyrrolidine ring adds to its cyclic structure, influencing its conformational properties and biological activity. The nitrobenzyloxy group enhances its lipophilicity, potentially affecting its solubility and permeability in biological systems. This compound may be of interest in medicinal chemistry due to its potential interactions with biological targets, possibly serving as a lead compound for drug development. Its specific stereochemistry, particularly the (2S,4S) configuration, is crucial for its biological activity and interaction with enzymes or receptors. Overall, this compound exemplifies the complexity and diversity of organic molecules in pharmaceutical research.
Formula:C20H19N3O7S
InChI:InChI=1/C20H19N3O7S/c24-18(21-14-3-1-2-13(8-14)19(25)26)17-9-16(31)10-22(17)20(27)30-11-12-4-6-15(7-5-12)23(28)29/h1-8,16-17,31H,9-11H2,(H,21,24)(H,25,26)/t16-,17-/m0/s1
InChI key:InChIKey=RTQKWWOSWDCUMA-IRXDYDNUSA-N
SMILES:C(NC1=CC(C(O)=O)=CC=C1)(=O)[C@H]2N(C(OCC3=CC=C(N(=O)=O)C=C3)=O)C[C@@H](S)C2
Synonyms:
  • (2S,4S)-2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-1-(4-nitrobenzyl)pyrrolidinecarboxylate
  • 1-Pyrrolidinecarboxylic acid, 2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-, 1-[(4-nitrophenyl)methyl] ester, (2S,4S)-
  • 1-Pyrrolidinecarboxylic acid, 2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-, 1-[(4-nitrophenyl)methyl] ester, (2S-cis)-
  • 1-[(4-Nitrophenyl)methyl] (2S,4S)-2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-1-pyrrolidinecarboxylate
  • 2-[[(3-Carboxyphenyl)Amino]Carbonyl]-4-Mercapto-1-Pyrrolidinecarboxylic Acid (2S-Cis)-1-[(4-Nitrophenyl)Methyl] Ester
  • 3-[[[(2S,4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercaptopyrrolidin-2-yl]carbonyl]amino]benzoic acid
  • 3-[[[(2S,4S)-4-Mercapto-1-(4-Nitrobenzyloxy)Carbonyl-2-Pyrrolidinyl]Carbonyl]Amino]Benzoic Acid
  • 3-[[[(2S,4S)-4-Mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]
  • Ertaipenem side chain
  • Ertapenem Side-Chain
  • See more synonyms
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