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
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Synonyms
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- 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
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InChIKey |
HHFWQMFTPDFWLM-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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