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CAS 82978-68-5

:

1-[2-[[1-(Ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid

Description:
1-[2-[[1-(Ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid, with CAS number 82978-68-5, is a complex organic compound characterized by its multi-functional structure. It features an octahydroindole core, which contributes to its cyclic and saturated nature, enhancing its stability and potential biological activity. The presence of an ethoxycarbonyl group indicates that it has an ester functionality, which can influence its solubility and reactivity. The amino and carboxylic acid groups suggest that this compound can participate in various chemical reactions, including peptide bond formation and acid-base interactions. Its structural complexity may allow for interactions with biological targets, making it of interest in medicinal chemistry. Additionally, the compound's stereochemistry and functional groups can affect its pharmacokinetic properties, such as absorption, distribution, metabolism, and excretion (ADME). Overall, this compound's unique characteristics position it as a potential candidate for further research in drug development or as a biochemical probe.
Formula:C19H32N2O5
InChI:InChI=1/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)
InChI key:InChIKey=IPVQLZZIHOAWMC-UHFFFAOYSA-N
SMILES:C(C(NC(C(OCC)=O)CCC)C)(=O)N1C2C(CC1C(O)=O)CCCC2
Synonyms:
  • 1-[2-[[1-(Ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid
  • 1-(2-((1-(Ethoxycarbonyl)butyl)amino)propionyl)octahydro-1H-indole-2-carboxylic acid
  • 1-(2-{[1-(ethoxycarbonyl)butyl]amino}propanoyl)octahydro-1H-indole-2-carboxylic acid (non-preferred name)
  • 1H-Indole-2-carboxylic acid, 1-[2-[[1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-
  • Einecs 280-080-3
  • 1-(2-((1-ethoxy-1-oxopentan-2-yl)amino)propanoyl)octahydro-1H-indole-2-carboxylic acid
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