Quinaprilat

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Properties Simple | Detailed

Formula C23H26N2O5
IUPAC Name (3s)-2-[(2s)-2-[[(1s)-1-carboxy-3-phenyl-propyl]amino]propanoyl]-3,4-dihydro-1h-isoquinoline-3-carboxylic acid
Molecular Mass 410.463 g·mol−1
Heat of Formation -800.4 ± 16.7 kJ·mol−1
Dipole Moment 1.59 ± 1.08 D
Volume 492.86 Å 3
Surface Area 383.26 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-2-[(2s)-2-[[(1s)-1-carboxy-3-phenyl-propyl]amino]propanoyl]-3,4-dihydro-1h-isoquinoline-3-carboxylic acid
  • (3s)-2-[(2s)-2-[[(1s)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]-3,4-dihydro-1h-isoquinoline-3-carboxylic acid
  • (3s)-2-[(2s)-2-[[(2s)-1-hydroxy-1-oxo-4-phenyl-butan-2-yl]amino]propanoyl]-3,4-dihydro-1h-isoquinoline-3-carboxylic acid
  • (3s)-2-[(2s)-2-[[(2s)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,4-dihydro-1h-isoquinoline-3-carboxylic acid
  • 2-(2-((1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-1,2,3,4-tetrahydro-6,7- dime
  • 3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(2-((1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-, (3s-(2(r*(r*)),3r*))-
  • 3-isoquinolinecarboxylic acid, 2-((2s)-2-(((1s)-1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-1,2,3,4-tetrahydro-, (3s)-
  • 3-isoquinolinecarboxylic acid, 2-(2-((1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-1,2,3,4-tetrahydro-, (3s-(2(r*(r*)),3r*))-
  • ci 928
  • d03773
  • quinaprilat (usan)
CAS Number(s)
  • 82768-85-2
  • 85441-60-7
InChIKey FLSLEGPOVLMJMN-YSSFQJQWSA-N
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