(2S)-1-(5-Oxo-L-Prolyl-L-Histidyl)-2-Piperidinecarboxamide

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Properties Simple | Detailed

Formula C17H24N6O4
IUPAC Name (2s)-1-[(2s)-3-imidazol-3-ium-4-ylium-4-yl-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]piperidine-2-carboxamide
Molecular Mass 376.410 g·mol−1
Heat of Formation -628.9 ± 16.7 kJ·mol−1
Dipole Moment 9.71 ± 1.08 D
Volume 449.14 Å 3
Surface Area 371.48 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-3-(3h-imidazol-4-yl)-1-oxo-2-[[oxo-[(2s)-5-oxo-2-pyrrolidinyl]methyl]amino]propyl]-2-piperidinecarboxamide
  • (2s)-1-[(2s)-3-(3h-imidazol-4-yl)-2-(pyroglutamoylamino)propanoyl]pipecolinamide
  • (2s)-1-[(2s)-3-(3h-imidazol-4-yl)-2-[[(2s)-5-oxopyrrolidin-2-yl]carbonylamino]propanoyl]piperidine-2-carboxamide
  • (2s)-1-[(2s)-3-(3h-imidazol-4-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]piperidine-2-carboxamide
InChIKey IWTYAVJLOSUEAH-AVGNSLFASA-N
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