(1R,3S,4R)-2-{N-[(2S)-1-Ethoxy-1-Oxo-4-Phenyl-2-Butanyl]-L-Alanyl}-2-Azabicyclo[2.2.2]Octane-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C23H32N2O5
IUPAC Name (2s)-3-[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-3-azabicyclo[2.2.2]octane-2-carboxylic acid
Molecular Mass 416.511 g·mol−1
Heat of Formation -926.1 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 520.35 Å 3
Surface Area 418.83 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-2-((2s)-n-((1s)-1-carboxy-3-phenylpropyl)alanyl)-2-azabicyclo(2.2.2)octane-3-carboxylic acid, 1-ethyl ester
  • (7s)-8-[(2s)-2-[[(1s)-1-carbethoxy-3-phenyl-propyl]amino]propanoyl]-8-azabicyclo[2.2.2]octane-7-carboxylic acid
  • (7s)-8-[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-8-azabicyclo[2.2.2]octane-7-carboxylic acid
  • (7s)-8-[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenylpropyl]amino]-1-oxopropyl]-8-azabicyclo[2.2.2]octane-7-carboxylic acid
  • (7s)-8-[(2s)-2-[[(2s)-1-ethoxy-1-oxo-4-phenyl-butan-2-yl]amino]propanoyl]-8-azabicyclo[2.2.2]octane-7-carboxylic acid
  • (7s)-8-[(2s)-2-[[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-8-azabicyclo[2.2.2]octane-7-carboxylic acid
  • zabicipril
  • zabiciprilum [latin]
CAS Number(s)
  • 83059-56-7
InChIKey OMGPCTGQLHHVDU-UVBQOVKKSA-N
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