(2S)-(L-Phenylalanylamino)(Phenylsulfanyl)Acetic Acid

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Properties Simple | Detailed

Formula C17H18N2O3S
IUPAC Name (2s)-2-[[(2s)-2-amino-3-phenyl-propanoyl]amino]-2-phenylsulfanyl-acetic acid
Molecular Mass 330.401 g·mol−1
Heat of Formation -361.0 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 401.82 Å 3
Surface Area 318.35 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-amino-1-oxo-3-phenylpropyl]amino]-2-(phenylthio)acetic acid
  • (2s)-2-[[(2s)-2-amino-3-phenyl-propanoyl]amino]-2-(phenylthio)acetic acid
  • (2s)-2-[[(2s)-2-amino-3-phenyl-propanoyl]amino]-2-phenylsulfanyl-acetic acid
  • (2s)-2-[[(2s)-2-amino-3-phenyl-propanoyl]amino]-2-phenylsulfanyl-ethanoic acid
  • (2s)-2-[[(2s)-2-amino-3-phenylpropanoyl]amino]-2-phenylsulfanylacetic acid
  • phe-3-s-phe
  • phenylalanyl-3-thiaphenylalanine
CAS Number(s)
  • 102582-51-4
InChIKey SPZCZEGVALWUIT-HOCLYGCPSA-N
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