Benzyl N-[(2S)-3-(Acetylsulfanyl)-2-(1,3-Benzodioxol-5-Ylmethyl)Propanoyl]Glycinate

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Properties Simple | Detailed

Formula C22H23NO6S
IUPAC Name benzyl 2-[[(2s)-2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)propanoyl]amino]acetate
Molecular Mass 429.486 g·mol−1
Heat of Formation -836.4 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 499.69 Å 3
Surface Area 377.52 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-n-(3-(3,4-methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxopropyl)glycine benzyl ester
  • 2-[[(2s)-2-[(acetylthio)methyl]-3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]acetic acid phenylmethyl ester
  • 2-[[(2s)-2-[(acetylthio)methyl]-3-(1,3-benzodioxol-5-yl)propanoyl]amino]acetic acid benzyl ester
  • glycine, n-(3-(acetylthio)-2-(1,3-benzodioxol-5-ylmethyl)-1-oxopropyl)-, phenylmethyl ester, (s)-
  • glycopril
  • phenylmethyl 2-[[(2s)-2-(1,3-benzodioxol-5-ylmethyl)-3-ethanoylsulfanyl-propanoyl]amino]ethanoate
  • phenylmethyl 2-[[(2s)-2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)propanoyl]amino]acetate
CAS Number(s)
  • 135038-56-1
InChIKey IVBOFTGCTWVBLF-GOSISDBHSA-N
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