N-{(2S,3R)-2-[(Benzoylsulfanyl)Methyl]-3-Phenylbutanoyl}-L-Alanine

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Properties Simple | Detailed

Formula C21H23NO4S
IUPAC Name (2s)-2-[[(2s,3r)-2-(benzoylsulfanylmethyl)-3-phenyl-butanoyl]amino]propanoic acid
Molecular Mass 385.477 g·mol−1
Heat of Formation -606.1 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 460.87 Å 3
Surface Area 376.23 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s,3r)-1-oxo-2-[[(oxo-phenylmethyl)thio]methyl]-3-phenylbutyl]amino]propanoic acid
  • (2s)-2-[[(2s,3r)-2-(benzoylsulfanylmethyl)-3-phenyl-butanoyl]amino]propanoic acid
  • (2s)-2-[[(2s,3r)-2-(benzoylsulfanylmethyl)-3-phenylbutanoyl]amino]propanoic acid
  • (2s)-2-[[(2s,3r)-2-[(benzoylthio)methyl]-3-phenyl-butanoyl]amino]propionic acid
  • (2s)-2-[[(2s,3r)-3-phenyl-2-(phenylcarbonylsulfanylmethyl)butanoyl]amino]propanoic acid
  • l-alanine, n-(2-((benzoylthio)methyl)-1-oxo-3-phenylbutyl)-, (s-(r*,s*))-
  • mixanpril
CAS Number(s)
  • 156039-69-9
InChIKey GKYIONYOYVKKQI-MPGHIAIKSA-N
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