(S-(R*,R*))-3-((1-Carboxy-3-Phenylpropyl)Amino)-2,3,4,5-Tetrahydro-2-Oxo-1H-1-Benzazepine-1-Acetic Acid

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Properties Simple | Detailed

Formula C22H24N2O5
IUPAC Name (2s)-2-[[(3s)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3h-1-benzazepin-3-yl]amino]-4-phenyl-butanoic acid
Molecular Mass 396.436 g·mol−1
Heat of Formation -757.9 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 470.75 Å 3
Surface Area 349.48 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(3s)-1-(carboxymethyl)-2-keto-4,5-dihydro-3h-1-benzazepin-3-yl]amino]-4-phenyl-butyric acid
  • (2s)-2-[[(3s)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3h-1-benzazepin-3-yl]amino]-4-phenyl-butanoic acid
  • (2s)-2-[[(3s)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3h-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid
  • (3s)-3-(((1s)-1-carboxy-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-1h-1-benzazepine-1-acetic acid
  • 1h-1-benzazepine-1-acetic acid, 3-(((1s)-1-carboxy-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (3s)-
  • 1h-1-benzazepine-1-acetic acid, 3-((1-carboxy-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-
  • 1h-1-benzazepine-1-acetic acid, 3-((1-carboxy-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (s-(r*,r*))-
  • benazeprilat
  • benazeprilat (usan)
  • benazeprilatum [latin]
  • cgs 14831
  • cgs-14831
  • d03077
CAS Number(s)
  • 89747-91-1
  • 107397-09-1
  • 86541-78-8
InChIKey MADRIHWFJGRSBP-ROUUACIJSA-N
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