L-Aspartyl-L-phenylalanine
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L-Aspartyl-L-phenylalanine
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CAS No:
13433-09-5
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Formula:
C13H16N2O5
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Chemical Name:
L-Aspartyl-L-phenylalanine
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Synonyms:
L-Phenylalanine,L-α-aspartyl-;Succinamic acid,3-amino-N-(α-carboxyphenethyl)-,stereoisomer;L-Phenylalanine,N-L-α-aspartyl-;L-α-Aspartyl-L-phenylalanine;α-L-Aspartyl-L-phenylalanine;L-Aspartyl-L-phenylalanine;Demethylaspartame;α-Aspartylphenylalanine;79: PN: WO2004069165 PAGE: 67 claimed protein;5694-30-4
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CAS No:
Description
Solid
Asp-Phe is a dipeptide formed from L-alpha-aspartyl and L-phenylalanine residues. It is obtained after the hydrolysis of aspartame in intestinal lumen. It has a role as a human xenobiotic metabolite and a human blood serum metabolite.
Characteristics
129.72000
0.69170
1.371g/cm3
236-239ºC(lit.)
601.7ºC at 760mmHg
317.7ºC
-20ºC
2.51E-15mmHg at 25°C
164.9 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|162.34 Ų [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Computed Properties
Molecular Weight:280.28
XLogP3:-3.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:280.10592162
Monoisotopic Mass:280.10592162
Topological Polar Surface Area:130
Heavy Atom Count:20
Complexity:366
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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