2'-{[(5-Carbamimidoyl-2-Pyridinyl)Amino]Methyl}-4-(Isobutylcarbamoyl)-4'-Vinyl-2-Biphenylcarboxylic Acid

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Formula C27H29N5O3
IUPAC Name 2-[2-[[(5-carbamimidoyl-2-pyridyl)amino]methyl]-4-vinyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid
Molecular Mass 471.551 g·mol−1
Heat of Formation -182.7 ± 16.7 kJ·mol−1
Dipole Moment 8.09 ± 1.08 D
Volume 590.61 Å 3
Surface Area 493.47 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[[(5-amidino-2-pyridyl)amino]methyl]-4-vinyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid
  • 2-[2-[[(5-carbamimidoyl-2-pyridyl)amino]methyl]-4-vinylphenyl]-5-[(isobutylamino)-oxomethyl]benzoic acid
  • 2-[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-4-ethenyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid
  • 2-[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-4-ethenylphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid
InChIKey HHFWQMFTPDFWLM-UHFFFAOYSA-N
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