β-Aspartame

CAS Registry Number®

22839-61-8
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CAS Name

β-Aspartame

Molecular Formula

C14H18N2O5

Molecular Mass

294.30

Cite this Page

β-Aspartame.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=22839-61-8 (retrieved 2024-04-28) (CAS RN: 22839-61-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-12(17)8-10(15)13(18)19/h2-6,10-11H,7-8,15H2,1H3,(H,16,17)(H,18,19)/t10-,11-/m0/s1

InChIKey

InChIKey=SHHIPKDJQYIJJF-QWRGUYRKSA-N

SMILES

[C@@H](CC1=CC=CC=C1)(NC(C[C@@H](C(O)=O)N)=O)C(OC)=O

Canonical SMILES

O=C(O)C(N)CC(=O)NC(C(=O)OC)CC=1C=CC=CC1

Other Names for this Substance

  • L-Phenylalanine, L-β-aspartyl-, 2-methyl ester
  • Asparagine, N-(α-carboxyphenethyl)-, N-methyl ester, L-
  • L-Phenylalanine, N-L-β-aspartyl-, 1-methyl ester
  • L-β-Aspartyl-L-phenylalanine methyl ester
  • β-Aspartame

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