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

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Properties Simple | Detailed

Formula C21H31N3O5
IUPAC Name 2-[[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-pyrrolidin-1-yl-amino]acetic acid
Molecular Mass 405.488 g·mol−1
Heat of Formation -829.5 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 500.68 Å 3
Surface Area 400.77 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2s)-2-[[(1s)-1-carbethoxy-3-phenyl-propyl]amino]propanoyl]-pyrrolidin-1-yl-amino]acetic acid
  • 2-[[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-pyrrolidin-1-yl-amino]acetic acid
  • 2-[[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenylpropyl]amino]-1-oxopropyl]-1-pyrrolidinylamino]acetic acid
  • 2-[[(2s)-2-[[(2s)-1-ethoxy-1-oxo-4-phenyl-butan-2-yl]amino]propanoyl]-pyrrolidin-1-yl-amino]ethanoic acid
  • 2-[[(2s)-2-[[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-pyrrolidin-1-ylamino]acetic acid
  • glycine, n-(n-(1-(ethoxycarbonyl)-3-phenylpropyl)-l-alanyl)-n-1-pyrrolidinyl-, (s)-
  • n-(n-(1-(ethoxycarbonyl)-3-phenylpropyl)alanyl)-n-(1-pyrrolidinyl)glycine
  • rev 6207
  • rev-6207
CAS Number(s)
  • 98056-23-6
InChIKey KCDAGNQTOFWXBX-WMZOPIPTSA-N
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