(2S)-[(N-Acetyl-L-Phenylalanyl)Amino](Phenylsulfanyl)Acetic Acid

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Properties Simple | Detailed

Formula C19H20N2O4S
IUPAC Name (2s)-2-[[(2s)-2-acetamido-3-phenyl-propanoyl]amino]-2-phenylsulfanyl-acetic acid
Molecular Mass 372.438 g·mol−1
Heat of Formation -557.0 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 451.47 Å 3
Surface Area 375.81 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-acetamido-1-oxo-3-phenylpropyl]amino]-2-(phenylthio)acetic acid
  • (2s)-2-[[(2s)-2-acetamido-3-phenyl-propanoyl]amino]-2-(phenylthio)acetic acid
  • (2s)-2-[[(2s)-2-acetamido-3-phenyl-propanoyl]amino]-2-phenylsulfanyl-acetic acid
  • (2s)-2-[[(2s)-2-acetamido-3-phenyl-propanoyl]amino]-2-phenylsulfanyl-ethanoic acid
  • n-ac-psp
  • n-acetylphenylalanyl-3-thiaphenylalanine
CAS Number(s)
  • 108906-59-8
InChIKey ZIRMREOJJGMRIJ-WMZOPIPTSA-N
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