N-[(2S)-3-(Acetylsulfanyl)-2-Benzylpropanoyl]Glycine

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Properties Simple | Detailed

Formula C14H17NO4S
IUPAC Name 2-[[(2s)-2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]acetic acid
Molecular Mass 295.354 g·mol−1
Heat of Formation -681.3 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 353.43 Å 3
Surface Area 300.0 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2s)-2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]acetic acid
  • 2-[[(2s)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetic acid
  • 2-[[(2s)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanoic acid
  • 2-[[(2s)-2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]acetic acid
  • 2-[[(2s)-2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]acetic acid
InChIKey DCMKACHZOPSUHN-GFCCVEGCSA-N
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