N-[(2S)-1-Ethoxy-1-Oxo-4-Phenyl-2-Butanyl]-L-Alanyl-5-Oxo-L-Proline

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Properties Simple | Detailed

Formula C20H26N2O6
IUPAC Name (2s)-1-[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-5-oxo-pyrrolidine-2-carboxylic acid
Molecular Mass 390.430 g·mol−1
Heat of Formation -1088.2 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 475.6 Å 3
Surface Area 395.51 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-2-[[(1s)-1-carbethoxy-3-phenyl-propyl]amino]propanoyl]-5-keto-proline
  • (2s)-1-[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-5-oxo-pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenylpropyl]amino]-1-oxopropyl]-5-oxo-2-pyrrolidinecarboxylic acid
  • (2s)-1-[(2s)-2-[[(2s)-1-ethoxy-1-oxo-4-phenyl-butan-2-yl]amino]propanoyl]-5-oxo-pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-2-[[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-5-oxopyrrolidine-2-carboxylic acid
InChIKey KRNSPQJSDVYTBC-BPUTZDHNSA-N
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