N-[(1S)-1-Carboxy-3-Phenylpropyl]-L-Phenylalanyl-L-α-Asparagine

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Properties Simple | Detailed

Formula C23H27N3O6
IUPAC Name (3s)-4-amino-3-[[(2s)-2-[[(1s)-1-carboxy-3-phenyl-propyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoic acid
Molecular Mass 441.477 g·mol−1
Heat of Formation -988.1 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 546.3 Å 3
Surface Area 439.5 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-4-amino-3-[[(2s)-2-[[(1s)-1-carboxy-3-phenyl-propyl]amino]-3-phenyl-propanoyl]amino]-4-keto-butyric acid
  • (3s)-4-amino-3-[[(2s)-2-[[(1s)-1-carboxy-3-phenyl-propyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoic acid
  • (3s)-4-amino-3-[[(2s)-2-[[(1s)-1-carboxy-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-oxobutanoic acid
  • (3s)-4-amino-3-[[(2s)-2-[[(2s)-1-hydroxy-1-oxo-4-phenyl-butan-2-yl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoic acid
  • (3s)-4-amino-3-[[(2s)-2-[[(2s)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid
  • hpi
  • n-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine
InChIKey FOJUHLDAXGNCIP-FHWLQOOXSA-N
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