S-(4-Acetamidophenyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C13H17N3O4S
IUPAC Name 2-[[(2r)-3-(4-acetamidophenyl)sulfanyl-2-amino-propanoyl]amino]acetic acid
Molecular Mass 311.357 g·mol−1
Heat of Formation -642.2 ± 16.7 kJ·mol−1
Dipole Moment 9.93 ± 1.08 D
Volume 366.53 Å 3
Surface Area 319.49 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2r)-3-(4-acetamidophenyl)sulfanyl-2-amino-propanoyl]amino]acetic acid
  • 2-[[(2r)-3-(4-acetamidophenyl)sulfanyl-2-amino-propanoyl]amino]ethanoic acid
  • 2-[[(2r)-3-[(4-acetamidophenyl)thio]-2-amino-1-oxopropyl]amino]acetic acid
  • 2-[[(2r)-3-[(4-acetamidophenyl)thio]-2-amino-propanoyl]amino]acetic acid
  • aa-cys-cg
  • acetaminophen cysteinylglycine
  • glycine, n-(s-(4-(acetylamino)phenyl)-l-cysteinyl)-
  • n-(s-(4-(acetylamino)phenyl)-l-cysteinyl)glycine
CAS Number(s)
  • 116709-74-1
InChIKey KUWSNHSHZVMAQS-NSHDSACASA-N
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