Ethyl N-[(2S)-3-(Acetylsulfanyl)-2-(2-Methylbenzyl)Propanoyl]-L-Methioninate

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Properties Simple | Detailed

Formula C20H29NO4S2
IUPAC Name ethyl (2s)-2-[[(2s)-2-(acetylsulfanylmethyl)-3-(o-tolyl)propanoyl]amino]-4-methylsulfanyl-butanoate
Molecular Mass 411.579 g·mol−1
Heat of Formation -775.1 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 506.7 Å 3
Surface Area 408.39 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[(acetylthio)methyl]-3-(2-methylphenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid ethyl ester
  • (2s)-2-[[(2s)-2-[(acetylthio)methyl]-3-(2-methylphenyl)propanoyl]amino]-4-(methylthio)butyric acid ethyl ester
  • ethyl (2s)-2-[[(2s)-2-(acetylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-4-methylsulfanyl-butanoate
  • ethyl (2s)-2-[[(2s)-2-(acetylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-4-methylsulfanylbutanoate
  • ethyl (2s)-2-[[(2s)-2-(ethanoylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-4-methylsulfanyl-butanoate
  • n-(2(s)-(acetylthiomethyl)-3-(2-methylphenyl)-1-oxopropyl)-l-methionine ethyl ester
  • sch 42495
  • sch-42495
CAS Number(s)
  • 136511-43-8
InChIKey ZVQXPUMRSJGLSF-MSOLQXFVSA-N
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