Compound Q&A

How is N~1~-{(2S,3R)-3-Hydroxy-4-[(3S,4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-1-phenyl-2-butanyl}-N~2~-(2-quinolinylcarbonyl)-L-aspartamide (CAS: 127779-20-8) typically synthesized?

Answer

N~1~-{(2S,3R)-3-Hydroxy-4-[(3S,4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-1-phenyl-2-butanyl}-N~2~-(2-quinolinylcarbonyl)-L-aspartamide
This compound is synthesized via a multistep process involving amidation and condensation reactions. The key steps include the formation of an intermediate amide through the coupling of a quinoline carboxylic acid and a phenyl-L-aspartamide, followed by the installation of the complex side chain via a Wittig reaction. The overall yield is moderate, and the reaction is typically carried out under anhydrous conditions using a suitable catalyst.

About

English Name N~1~-{(2S,3R)-3-Hydroxy-4-[(3S,4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-1-phenyl-2-butanyl}-N~2~-(2-quinolinylcarbonyl)-L-aspartamide
Molecular Formula C38H50N6O5
Molecular Weight 670.86 g/mol
SMILES CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O
InChIKey QWAXKHKRTORLEM-UGJKXSETSA-N
Last Updated: 2025-09-29 09:43

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