S-Benzyl (2S)-2-(Benzoylamino)-3-(4-Hydroxyphenyl)Propanethioate

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Properties Simple | Detailed

Formula C23H21NO3S
IUPAC Name s-benzyl (2s)-2-benzamido-3-(4-hydroxyphenyl)propanethioate
Molecular Mass 391.483 g·mol−1
Heat of Formation -242.0 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 470.66 Å 3
Surface Area 387.96 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(benzoylamino)-3-(4-hydroxyphenyl)propanethioic acid s-(benzyl) ester
  • (2s)-3-(4-hydroxyphenyl)-2-[(oxo-phenylmethyl)amino]propanethioic acid s-(phenylmethyl) ester
  • benzenepropanethioic acid, alpha-(benzoylamino)-4-hydroxy-, s-(phenylmethyl) ester, (s)-
  • n-benzoyl-l-tyrosine thiobenzyl ester
  • s-(phenylmethyl) (2s)-2-(benzoylamino)-3-(4-hydroxyphenyl)propanethioate
  • s-(phenylmethyl) (2s)-3-(4-hydroxyphenyl)-2-(phenylcarbonylamino)propanethioate
CAS Number(s)
  • 57282-60-7
InChIKey VALWJPUHAVRYSX-NRFANRHFSA-N
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