N-[(1S)-1-Carboxy-2-Phenylethyl]-L-Phenylalanyl-β-Alanine

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Formula C21H24N2O5
IUPAC Name (2s)-2-[[(1s)-1-benzyl-2-(2-carboxyethylamino)-2-oxo-ethyl]amino]-3-phenyl-propanoic acid
Molecular Mass 384.426 g·mol−1
Heat of Formation -829.5 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 470.44 Å 3
Surface Area 378.68 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(1s)-1-(benzyl)-2-(2-carboxyethylamino)-2-keto-ethyl]amino]-3-phenyl-propionic acid
  • (2s)-2-[[(1s)-2-(2-carboxyethylamino)-2-oxo-1-(phenylmethyl)ethyl]amino]-3-phenyl-propanoic acid
  • (2s)-2-[[(1s)-2-(2-carboxyethylamino)-2-oxo-1-(phenylmethyl)ethyl]amino]-3-phenylpropanoic acid
  • (2s)-2-[[(2s)-1-(2-carboxyethylamino)-1-oxo-3-phenyl-propan-2-yl]amino]-3-phenyl-propanoic acid
  • (2s)-2-[[(2s)-1-(2-carboxyethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropanoic acid
  • (n-(1-carboxy-2-phenyl)ethyl)phenylalanyl-b-alanine
  • beta-alanine, n-(n-(1-carboxy-2-phenylethyl)-l-phenylalanyl)-, (s)-
  • sch 32615
  • sch-32615
CAS Number(s)
  • 83861-02-3
InChIKey WOVRTBFSWOVRST-ROUUACIJSA-N
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