N-{[5-(2-Carboxyethyl)-3-Hydroxy-2-Methyl-4-Pyridinyl]Methyl}-L-Phenylalanine

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Properties Simple | Detailed

Formula C19H22N2O5
IUPAC Name (2s)-2-[[5-(2-carboxyethyl)-3-hydroxy-2-methyl-4-pyridyl]methylamino]-3-phenyl-propanoic acid
Molecular Mass 358.388 g·mol−1
Heat of Formation -816.4 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 422.54 Å 3
Surface Area 360.96 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[5-(2-carboxyethyl)-3-hydroxy-2-methyl-4-pyridyl]methylamino]-3-phenyl-propanoic acid
  • (2s)-2-[[5-(2-carboxyethyl)-3-hydroxy-2-methyl-4-pyridyl]methylamino]-3-phenyl-propionic acid
  • (2s)-2-[[5-(2-carboxyethyl)-3-hydroxy-2-methyl-4-pyridyl]methylamino]-3-phenylpropanoic acid
  • (2s)-2-[[5-(2-carboxyethyl)-3-hydroxy-2-methyl-pyridin-4-yl]methylamino]-3-phenyl-propanoic acid
  • (2s)-2-[[5-(2-carboxyethyl)-3-hydroxy-2-methylpyridin-4-yl]methylamino]-3-phenylpropanoic acid
  • 3-pyridinepropanoic acid, 4-(((1-carboxy-2-phenylethyl)amino)methyl)-5-hydroxy-6-methyl-, (s)-
  • alpha(5)-pyridoxal-l-phenylalanine acetic acid
  • alpha(5)-pyridoxalphenylalanine acetic acid
CAS Number(s)
  • 23847-74-7
InChIKey VNHORGDDSBQGPU-INIZCTEOSA-N
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