Aspartame

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Systematic / IUPAC Name: (3S)-3-Amino-4-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobutanoic acid

ID: Reference990

Other Names: Aspartylphenylalanine methyl ester;
L-Aspartyl-L-phenylalanine methyl ester;
1-Methyl N-L-α-aspartyl-L-phenylalanate;
Methyl L-α-aspartyl-L-phenylalaninate;
3-Amino-N-(α-methoxycarbonylphenethyl) succinamic acid ; more

Formula: C14H18N2O5

Class: Excipients/Additives/Colorants

Spectral Data

Aspartame mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL
No. of Spectral Trees 1
No. of Spectra 53
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/14/2016 9:02:17 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
InChI Key IAOZJIPTCAWIRG-QWRGUYRKSA-N
Canonical SMILES COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N
CAS 22839470
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Other Names Aspartylphenylalanine methyl ester;
L-Aspartyl-L-phenylalanine methyl ester;
1-Methyl N-L-α-aspartyl-L-phenylalanate;
Methyl L-α-aspartyl-L-phenylalaninate;
3-Amino-N-(α-methoxycarbonylphenethyl) succinamic acid;
3-Amino-N-(α-carboxyphenethyl)succinamic acid N-methyl ester;
Methyl aspartylphenylalanate;
N-(L-α-Aspartyl)-L-phenylalanine methyl ester;
Methyl N-L-α-aspartyl-L-phenylalaninate;
L-Aspartyl-L-phenylalanyl methyl ester;
L-Aspartyl-L-3-phenylalanine methyl ester;
N-L-α-Aspartyl L-phenylalanine 1-methyl ester;
Nutrasweet;
Canderel;
Equal

In Other Databases

Wikipedia Aspartame
ChEBI CHEBI:2877
PubChem 134601
KEGG D02381; C11045
HMDb HMDB01894
ChEMBL CHEMBL171679
ChemSpider 118630