Benzyl N-[(2R)-3-(Acetylthio)-2-Benzylpropanoyl]Glycinate

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Properties Simple | Detailed

Formula C21H23NO4S
IUPAC Name benzyl 2-[[(2r)-2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]acetate
Molecular Mass 385.477 g·mol−1
Heat of Formation -572.1 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 467.89 Å 3
Surface Area 369.19 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-acetorphan
  • (r)-n-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)glycine phenylmethyl ester
  • 2-[[(2r)-2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]acetic acid phenylmethyl ester
  • 2-[[(2r)-2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]acetic acid benzyl ester
  • dexecadotril
  • glycine, n-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, phenylmethyl ester, (r)-
  • n-(2-acetylthiomethyl-1-oxo-3-phenylpropyl)glycine-r(+)-benzyl ester
  • phenylmethyl 2-[[(2r)-2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]acetate
  • phenylmethyl 2-[[(2r)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
  • phenylmethyl 2-[[(2r)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanoate
  • retorphan
CAS Number(s)
  • 112573-72-5
InChIKey ODUOJXZPIYUATO-IBGZPJMESA-N
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