N-(4-{[(2-Amino-4-Oxo-1,4-Dihydro-6-Pteridinyl)Methyl]Amino}Benzoyl)-L-Tyrosine

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Properties Simple | Detailed

Formula C23H22N7O5+
IUPAC Name (2s)-2-[[4-[(2-amino-4-oxo-pteridin-1-ium-3-id-6-yl)methylamino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular Mass 476.465 g·mol−1
Heat of Formation -388.8 ± 16.7 kJ·mol−1
Dipole Moment 10.97 ± 1.08 D
Volume 529.02 Å 3
Surface Area 469.76 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2-amino-4-keto-1h-pteridin-6-yl)methylamino]benzoyl]amino]-3-(4-hydroxyphenyl)propionic acid
  • (2s)-2-[[4-[(2-amino-4-oxo-1h-pteridin-6-yl)methylamino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
  • (2s)-2-[[4-[(2-amino-4-oxo-1h-pteridin-6-yl)methylamino]phenyl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid
  • (2s)-2-[[[4-[(2-amino-4-oxo-1h-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid
  • l-tyrosine, n-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-
  • pteroyltyrosine
CAS Number(s)
  • 76910-23-1
InChIKey HINGXELFWYSGLU-KRWDZBQOSA-N
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