4-[(N-Acetyl-L-Tyrosyl)Amino]Benzoic Acid

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Properties Simple | Detailed

Formula C18H18N2O5
IUPAC Name 4-[[(2s)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid
Molecular Mass 342.346 g·mol−1
Heat of Formation -788.3 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 403.93 Å 3
Surface Area 352.89 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-4-((2-(acetylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)benzoic acid
  • 4-(n-acetyltyrosyl)aminobenzoic acid
  • 4-[[(2s)-2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]benzoic acid
  • 4-[[(2s)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid
  • benzoic acid, 4-((2-(acetylamino)-3-(4-hydroxyphenyl)-1-otopropyl)amino)-, (s)-
CAS Number(s)
  • 38219-60-2
InChIKey KBMLOINBCRNELT-INIZCTEOSA-N
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