Formula |
C32H35N5O5 |
IUPAC Name |
5-[[[(2s)-2-amino-3-(4-carbamoyl-2,6-dimethyl-phenyl)propanoyl]-[(1s)-1-(5-phenylimidazol-1-ium-2-ylium-2-yl)ethyl]amino]methyl]-2-methoxy-benzoic acid |
Molecular Mass |
569.651 g·mol−1 |
Heat of Formation |
-553.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.34 ± 1.08 D |
Volume |
690.38 Å 3 |
Surface Area |
523.65 Å 2 |
HOMO Energy |
-8.82 ± 0.55 eV |
LUMO Energy |
-0.84 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-[[[(2s)-2-amino-3-(4-aminocarbonyl-2,6-dimethyl-phenyl)propanoyl]-[(1s)-1-(4-phenyl-3h-imidazol-2-yl)ethyl]amino]methyl]-2-methoxy-benzoic acid
- 5-[[[(2s)-2-amino-3-(4-carbamoyl-2,6-dimethyl-phenyl)propanoyl]-[(1s)-1-(4-phenyl-3h-imidazol-2-yl)ethyl]amino]methyl]-2-methoxy-benzoic acid
- 5-[[[(2s)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropyl]-[(1s)-1-(4-phenyl-3h-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid
- 5-[[[(2s)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1s)-1-(4-phenyl-3h-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid
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InChIKey |
QFNHIDANIVGXPE-FNZWTVRRSA-N |
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Elements |
H
C
O
N
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