N-[(2S)-1-Ethoxy-1-Oxo-4-Phenyl-2-Butanyl]-L-Alanyl-N-Benzylglycine

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Properties Simple | Detailed

Formula C24H30N2O5
IUPAC Name 2-[benzyl-[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]amino]acetic acid
Molecular Mass 426.505 g·mol−1
Heat of Formation -811.1 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 533.24 Å 3
Surface Area 426.96 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-(phenylmethyl)amino]acetic acid
  • 2-[[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenylpropyl]amino]-1-oxopropyl]-(phenylmethyl)amino]acetic acid
  • 2-[[(2s)-2-[[(2s)-1-ethoxy-1-oxo-4-phenyl-butan-2-yl]amino]propanoyl]-(phenylmethyl)amino]ethanoic acid
  • 2-[[(2s)-2-[[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-(phenylmethyl)amino]acetic acid
  • 2-[benzyl-[(2s)-2-[[(1s)-1-carbethoxy-3-phenyl-propyl]amino]propanoyl]amino]acetic acid
  • glycine, n-(n-(1-(ethoxycarbonyl)-3-phenylpropyl)-l-alanyl)-n-(phenylmethyl)-, (s)-
  • n-(n-(1 (ethoxycarbonyl)-3-phenylpropyl)alanyl)-n-(phenylmethyl)glycine
  • rev 5975
  • rev-5975
CAS Number(s)
  • 101820-46-6
InChIKey IKWSMOBSRGJBSI-RXVVDRJESA-N
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