N,N-Dimethyl-3-({N-[(1-Methyl-4-{[(1-Methyl-4-{[(1-Methyl-4-{[(1-Methyl-1H-Imidazol-2-Yl)Carbonyl]Amino}-1H-Imidazol-2-Yl)Carbonyl]Amino}-1H-Pyrrol-2-Yl)Carbonyl]Amino}-1H-Pyrrol-2-Yl)Carbonyl]-β-Alanyl}Amino)-1-Propanaminium

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Properties Simple | Detailed

Formula C30H41N12O5+
IUPAC Name dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propanoylamino]propyl]ammonium
Molecular Mass 649.724 g·mol−1
Heat of Formation 3852.2 ± 16.7 kJ·mol−1
Dipole Moment 7.40 ± 1.08 D
Volume 625.85 Å 3
Surface Area 568.18 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -2.69 ± eV
Point Group Symmetry C1
Synonyms
  • dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium
  • dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propanoylamino]propyl]ammonium
  • dimethyl-[3-[[3-[[[1-methyl-4-[[[1-methyl-4-[[[1-methyl-4-[[(1-methyl-2-imidazolyl)-oxomethyl]amino]-2-imidazolyl]-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]-1-oxopropyl]amino]propyl]ammonium
  • iip
  • imidazole-pyrrole polyamide
InChIKey IILSDRPSIOPDCJ-UHFFFAOYSA-O
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