Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Aspartame / Aspartamine / Canderel / Nutrasweet / APM 22839-47-0 134601

Structure Other Information
Canonical SMILES COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N
Iso SMILES COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N
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
Formula C14H18N2O5
Mol Weight 294.303
XlogP3 -2.7
Charge 0

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Synonyms Information
CAS Name (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
IUPAC Name (3S)-3-amino-4-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid
Openeye Name (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Systematic Name (3S)-3-azanyl-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
Tratitional Name (3S)-3-azanyl-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid