(2S)-2-{[(2S)-1-{[(2S)-2-Carboxy-2-Hydroxyethyl]Amino}-1-Oxo-3-Phenyl-2-Propanyl]Amino}-4-Phenylbutanoic Acid

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Properties Simple | Detailed

Formula C22H26N2O6
IUPAC Name (2s)-2-[[(1s)-1-benzyl-2-[[(2s)-2-carboxy-2-hydroxy-ethyl]amino]-2-oxo-ethyl]amino]-4-phenyl-butanoic acid
Molecular Mass 414.452 g·mol−1
Heat of Formation -1003.7 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 490.37 Å 3
Surface Area 382.75 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(1s)-1-(benzyl)-2-[[(2s)-2,3-dihydroxy-3-keto-propyl]amino]-2-keto-ethyl]amino]-4-phenyl-butyric acid
  • (2s)-2-[[(1s)-2-[[(2s)-2,3-dihydroxy-3-oxo-propyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]-4-phenyl-butanoic acid
  • (2s)-2-[[(1s)-2-[[(2s)-2,3-dihydroxy-3-oxopropyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]-4-phenylbutanoic acid
  • (2s)-2-[[(2s)-1-[[(2s)-2,3-dihydroxy-3-oxo-propyl]amino]-1-oxo-3-phenyl-propan-2-yl]amino]-4-phenyl-butanoic acid
  • (2s)-2-[[(2s)-1-[[(2s)-2,3-dihydroxy-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-phenylbutanoic acid
InChIKey QAQRHURCJWHRJU-FHWLQOOXSA-N
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