Formula |
C32H46N2O3S |
IUPAC Name |
(2s)-2-[[4-[[butyl(2-cyclohexylethyl)amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid |
Molecular Mass |
538.784 g·mol−1 |
Heat of Formation |
-633.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.95 ± 1.08 D |
Volume |
713.52 Å 3 |
Surface Area |
547.42 Å 2 |
HOMO Energy |
-8.49 ± 0.55 eV |
LUMO Energy |
-0.39 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[4-[(butyl-(2-cyclohexylethyl)amino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-(methylthio)butyric acid
- (2s)-2-[[4-[(butyl-(2-cyclohexylethyl)amino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid
- (2s)-2-[[4-[(butyl-(2-cyclohexylethyl)amino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
- (2s)-2-[[4-[(butyl-(2-cyclohexylethyl)amino)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid
- (2s)-2-[[[4-[(butyl-(2-cyclohexylethyl)amino)methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid
- 2-{(5-{[butyl-(2-cyclohexyl-ethyl)-amino]-methyl}-2'-methyl-biphenyl-2-carbonyl)-amino]-4-methylsulfanyl-butyric acid
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InChIKey |
GAQHYZNOMLXSEA-PMERELPUSA-N |
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Elements |
H
C
S
O
N
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