Formula |
C13H16N2O6 |
IUPAC Name |
(3s)-3-amino-4-[[(1s)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxo-butanoic acid |
Molecular Mass |
296.276 g·mol−1 |
Heat of Formation |
-1083.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.23 ± 1.08 D |
Volume |
348.35 Å 3 |
Surface Area |
291.64 Å 2 |
HOMO Energy |
-9.17 ± 0.55 eV |
LUMO Energy |
-0.07 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (3s)-3-amino-4-[[(1s)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-4-keto-butyric acid
- (3s)-3-amino-4-[[(1s)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid
- (3s)-3-amino-4-[[(1s)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]amino]-4-oxobutanoic acid
- (3s)-3-amino-4-[[(2s)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxo-propan-2-yl]amino]-4-oxo-butanoic acid
- (3s)-3-amino-4-[[(2s)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
- asp-tyr
- aspartyltyrosine
- l-tyrosine, n-l-alpha-aspartyl-
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CAS Number(s) |
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InChIKey |
NALWOULWGHTVDA-UWVGGRQHSA-N |
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Links |
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DOI |
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Elements |
H
C
O
N
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