Nalpha-Benzoyl-N-(4-Nitrophenyl)-L-Tyrosinamide

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Properties Simple | Detailed

Formula C22H19N3O5
IUPAC Name n-[(1s)-1-[(4-hydroxyphenyl)methyl]-2-(4-nitroanilino)-2-oxo-ethyl]benzamide
Molecular Mass 405.403 g·mol−1
Heat of Formation -283.6 ± 16.7 kJ·mol−1
Dipole Moment 9.13 ± 1.08 D
Volume 471.58 Å 3
Surface Area 404.76 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-alpha-(benzoylamino)-4-hydroxy-n-(4-nitrophenyl)benzenepropanamide
  • benzoyl-l-tyrosine p-nitroanilide
  • benzoyltyrosine 4-nitroanilide
  • btpna
  • n-[(1s)-1-[(4-hydroxyphenyl)methyl]-2-[(4-nitrophenyl)amino]-2-oxo-ethyl]benzamide
  • n-[(2s)-3-(4-hydroxyphenyl)-1-[(4-nitrophenyl)amino]-1-oxo-propan-2-yl]benzamide
CAS Number(s)
  • 6154-45-6
InChIKey CJERUMAUMMIPRF-FQEVSTJZSA-N
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