Formula |
C28H31N5O6 |
IUPAC Name |
2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[[(1s)-1-(hydroxymethyl)-2,2-dimethyl-propyl]carbamoyl]benzoic acid |
Molecular Mass |
533.576 g·mol−1 |
Heat of Formation |
-774.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.51 ± 1.08 D |
Volume |
632.32 Å 3 |
Surface Area |
524.2 Å 2 |
HOMO Energy |
-8.98 ± 0.55 eV |
LUMO Energy |
-1.08 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[[(1s)-2,2-dimethyl-1-methylol-propyl]carbamoyl]benzoic acid
- 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[[(1s)-1-(hydroxymethyl)-2,2-dimethyl-propyl]carbamoyl]benzoic acid
- 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[[(2s)-1-hydroxy-3,3-dimethyl-butan-2-yl]carbamoyl]benzoic acid
- 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-[[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl]benzoic acid
- 2-[2-[[(4-carbamimidoylphenyl)amino]-oxomethyl]-6-methoxy-3-pyridyl]-5-[[[(1s)-1-(hydroxymethyl)-2,2-dimethylpropyl]amino]-oxomethyl]benzoic acid
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InChIKey |
KPACBFJTZSMBKD-OAQYLSRUSA-N |
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Elements |
H
C
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N
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