N-{[(2S)-4-Oxo-2-Azetidinyl]Carbonyl}-L-Histidyl-L-Prolinamide

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Properties Simple | Detailed

Formula C15H20N6O4
IUPAC Name (2s)-1-[(2s)-3-imidazol-3-ium-4-ylium-4-yl-2-[[(2s)-4-oxoazetidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
Molecular Mass 348.357 g·mol−1
Heat of Formation -473.6 ± 16.7 kJ·mol−1
Dipole Moment 9.03 ± 1.08 D
Volume 412.03 Å 3
Surface Area 352.26 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-n-(((2s)-4-oxo-2-azetidinyl)carbonyl)-l-histidyl-l-prolinamide
  • (2s)-1-[(2s)-3-(3h-imidazol-4-yl)-1-oxo-2-[[oxo-[(2s)-4-oxo-2-azetidinyl]methyl]amino]propyl]-2-pyrrolidinecarboxamide
  • (2s)-1-[(2s)-3-(3h-imidazol-4-yl)-2-[[(2s)-4-ketoazetidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-3-(3h-imidazol-4-yl)-2-[[(2s)-4-oxoazetidin-2-yl]carbonylamino]propanoyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-3-(3h-imidazol-4-yl)-2-[[(2s)-4-oxoazetidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
  • azetirelin
  • l-prolinamide, n-((4-oxo-2-azetidinyl)carbonyl)-l-histidyl-, (s)-
CAS Number(s)
  • 95729-65-0
InChIKey WBGUMUGCONUXFK-DCAQKATOSA-N
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