Compound Q&A

What are the physical and chemical properties of 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)?

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 a complex organic molecule with a molecular weight of approximately 566.5 g/mol. Its crystalline form is stable and it has low solubility in water but is soluble in organic solvents like DMSO and DMF. The compound exhibits moderate reactivity and is susceptible to hydrolysis under basic conditions. It is not flammable but may release toxic gases upon decomposition.

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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