Formula |
C23H21N7O5 |
IUPAC Name |
(2s)-2-[[4-[(2-amino-4-oxo-1h-pteridin-6-yl)methylamino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
Molecular Mass |
475.457 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
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Synonyms
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- (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
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CAS Number(s) |
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InChIKey |
HINGXELFWYSGLU-KRWDZBQOSA-N |
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Links |
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DOI |
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Elements |
H
C
O
N
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