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CAS 87725-72-2

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1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, monohydrochloride, (2S,3aR,7aS)-

Description:
1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, monohydrochloride, (2S,3aR,7aS)-, is a complex organic compound characterized by its indole core structure, which is a bicyclic structure containing a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of an ethoxycarbonyl group and a phenylpropyl moiety indicates that it may exhibit significant lipophilicity, which can influence its biological activity and solubility. The specific stereochemistry denoted by the (2S,3aR,7aS) configuration suggests that it may have distinct chiral properties, potentially affecting its interaction with biological targets. As a hydrochloride salt, it is likely to be more soluble in water compared to its free base form, which is advantageous for pharmaceutical applications. Overall, this compound may have implications in medicinal chemistry, particularly in the development of therapeutic agents.
Formula:C24H34N2O5·ClH
InChI:InChI=1S/C24H34N2O5.ClH/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29;/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29);1H/t16-,18+,19-,20-,21-;/m0./s1
InChI key:InChIKey=QNSWMJYOGMUVGO-REWXTUPXSA-N
SMILES:C([C@@H](N[C@@H](CCC1=CC=CC=C1)C(OCC)=O)C)(=O)N2[C@@]3([C@@](C[C@H]2C(O)=O)(CCCC3)[H])[H].Cl
Synonyms:
  • Trandolapril hydrochloride
  • 1H-Indole-2-carboxylic acid, 1-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, monohydrochloride, [2S-[1[R*(R*)],2α,3aα,7aβ]]-
  • 1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, monohydrochloride, (2S,3aR,7aS)-
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