N-[(5-{[Butyl(2-Cyclohexylethyl)Amino]Methyl}-2'-Methyl-2-Biphenylyl)Carbonyl]-L-Methionine

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Properties Simple | Detailed

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
Synonyms
  • (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
InChIKey GAQHYZNOMLXSEA-PMERELPUSA-N
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