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

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Properties Simple | Detailed

Formula C16H20I2N6O4
IUPAC Name (2s)-n-[(2s)-1-[(2s)-2-amino-3-(2,4-diiodo-1h-imidazol-3-ium-5-id-5-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxo-pyrrolidine-2-carboxamide
Molecular Mass 614.177 g·mol−1
Heat of Formation -460.6 ± 16.7 kJ·mol−1
Dipole Moment 10.80 ± 1.08 D
Volume 505.93 Å 3
Surface Area 410.09 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(2s)-1-[(2s)-2-amino-3-(2,5-diiodo-3h-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]carbonyl-5-oxo-pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-1-[(2s)-2-amino-3-(2,5-diiodo-3h-imidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-keto-pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-1-[(2s)-2-amino-3-(2,5-diiodo-3h-imidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxo-pyrrolidine-2-carboxamide
  • (2s)-n-[[(2s)-1-[(2s)-2-amino-3-(2,5-diiodo-3h-imidazol-4-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-5-oxo-2-pyrrolidinecarboxamide
  • 2,4(5)-i2-im-trh
  • 5-oxoprolyl-2,4(5)-diiodohistidyl-prolinamide
  • l-prolinamide, 5-oxo-l-prolyl-2,5-diiodo-l-histidyl-
CAS Number(s)
  • 55536-96-4
InChIKey VXHKQGLECYWLFN-NRPADANISA-N
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