5-Iodo-L-Histidyl-N-{[(2S)-5-Oxo-2-Pyrrolidinyl]Carbonyl}-L-Prolinamide

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Properties Simple | Detailed

Formula C16H21IN6O4
IUPAC Name (2s)-n-[(2s)-1-[(2s)-2-amino-3-(4-iodo-1h-imidazol-3-ium-5-id-5-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxo-pyrrolidine-2-carboxamide
Molecular Mass 488.280 g·mol−1
Heat of Formation -537.9 ± 16.7 kJ·mol−1
Dipole Moment 11.15 ± 1.08 D
Volume 464.64 Å 3
Surface Area 380.03 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(2s)-1-[(2s)-2-amino-3-(5-iodo-3h-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]carbonyl-5-oxo-pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-1-[(2s)-2-amino-3-(5-iodo-3h-imidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-keto-pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-1-[(2s)-2-amino-3-(5-iodo-3h-imidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxo-pyrrolidine-2-carboxamide
  • (2s)-n-[[(2s)-1-[(2s)-2-amino-3-(5-iodo-3h-imidazol-4-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-5-oxo-2-pyrrolidinecarboxamide
  • 4(5)-i-im-trh
  • 5-oxoprolyl-4(5)-iodohistidyl-prolinamide
  • l-prolinamide, 5-oxo-l-prolyl-5-iodo-l-histidyl-
CAS Number(s)
  • 60839-69-2
InChIKey ZTETYXSXZAMVAT-QXEWZRGKSA-N
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