3-(1H-Imidazol-2-Ylmethyl)-N-{[(2S)-5-Oxo-2-Pyrrolidinyl]Carbonyl}-N-{[(2S)-1-Pentyl-2-Pyrrolidinyl]Carbonyl}-L-Histidinamide

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Properties Simple | Detailed

Formula C25H36N8O4
IUPAC Name (2s)-n-[(2s)-2-amino-3-[1-(4,5-dihydroimidazole-4,5-diylium-2-ylmethyl)-2,4-dihydroimidazole-2,4-diylium-5-yl]propanoyl]-5-oxo-n-[(1r,2s)-1-pentylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
Molecular Mass 512.605 g·mol−1
Heat of Formation -534.6 ± 16.7 kJ·mol−1
Dipole Moment 6.06 ± 1.08 D
Volume 624.61 Å 3
Surface Area 472.21 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(2s)-2-amino-3-[3-(1h-imidazol-2-ylmethyl)-4-imidazolyl]-1-oxopropyl]-5-oxo-n-[oxo-[(2s)-1-pentyl-2-pyrrolidinyl]methyl]-2-pyrrolidinecarboxamide
  • (2s)-n-[(2s)-2-amino-3-[3-(1h-imidazol-2-ylmethyl)imidazol-4-yl]propanoyl]-5-oxo-n-[(2s)-1-pentylpyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-2-amino-3-[3-(1h-imidazol-2-ylmethyl)imidazol-4-yl]propanoyl]-5-oxo-n-[(2s)-1-pentylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-2-amino-3-[3-(1h-imidazol-2-ylmethyl)imidazol-4-yl]propanoyl]-n-[(2s)-1-amylpyrrolidine-2-carbonyl]-5-keto-pyrrolidine-2-carboxamide
  • pimhpp
  • pyr-(n3-im-methyl)-his-pro-nh-(n-pentyl)
  • pyroglutamyl-((n3)-imidazolylmethyl)-histidyl-n-amylprolinamide
CAS Number(s)
  • 107810-09-3
InChIKey RESILIOYOJMCAR-UFYCRDLUSA-N
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