Methyl L-alpha-aspartyl-L-phenylalaninate - 6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide (1:1) | CAS No. 106372-55-8

Methyl L-alpha-aspartyl-L-phenylalaninate - 6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide (1:1)

Basic Information

CAS Number

106372-55-8

Molecular Formula

C18H23N3O9S

Molecular Weight

457.46 g/mol

AD

Basic Physical Properties

O=C1C=C(C)OS(=O)(=O)N1.COC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccccc1

InChI

InChI=1S/C14H18N2O5.C4H5NO4S/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18;1-3-2-4(6)5-10(7,8)9-3/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18);2H,1H3,(H,5,6)/t10-,11-;/m0./s1

InChIKey

KVHQNWGLVVERFR-ACMTZBLWSA-N

LogP

-1.0296999999999972

Topological Polar Surface Area

191.19 Ų

Hydrogen Bond Donor/Acceptor

5 / 12

Synonyms & References

English

  • Aspartame Acesulfame
  • Acesulfame Aspartame Salt
  • (5-Benzyl-3,6-dioxo-2-piperazinyl)acetic acid
  • 4,5-Benzoacenaphthylene
  • acessulfame-aspartame
  • Benz(e)acenaphthylene
  • Benzoacenaphthylene
  • 6-Methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide compd. with L-alpha-aspartyl-L-phenylalanine 2-methyl ester (1:1)
  • Twinsweet
  • Twinsweet LA
  • ASPARTAME ACESULFAME (200 MG)

MDL Number

MFCD28143121

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