N-[(2S)-2-(2-Methylbenzyl)-3-Sulfanylpropanoyl]-L-Methionine

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Properties Simple | Detailed

Formula C16H23NO3S2
IUPAC Name (2s)-4-methylsulfanyl-2-[[(2s)-2-(o-tolylmethyl)-3-sulfanyl-propanoyl]amino]butanoic acid
Molecular Mass 341.489 g·mol−1
Heat of Formation -560.9 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 421.4 Å 3
Surface Area 355.39 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-(mercaptomethyl)-3-(2-methylphenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid
  • (2s)-2-[[(2s)-2-(mercaptomethyl)-3-(2-methylphenyl)propanoyl]amino]-4-(methylthio)butyric acid
  • (2s)-2-[[(2s)-2-[(2-methylphenyl)methyl]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid
  • (2s)-2-[[(2s)-2-[(2-methylphenyl)methyl]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoic acid
InChIKey FGXXIAHRYGHABD-KGLIPLIRSA-N
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