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CAS Registry Number®

106372-55-8

CAS Name

Twinsweet

Molecular Formula

C14H18N2O5.C4H5NO4S

Cite this Page

Twinsweet.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=106372-55-8 (retrieved 2024-11-21) (CAS RN: 106372-55-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey=KVHQNWGLVVERFR-ACMTZBLWSA-N

SMILES

O=S1(=O)NC(=O)C=C(C)O1.[C@@H](CC1=CC=CC=C1)(NC([C@H](CC(O)=O)N)=O)C(OC)=O

Canonical SMILES

O=C(O)CC(N)C(=O)NC(C(=O)OC)CC=1C=CC=CC1.O=C1C=C(OS(=O)(=O)N1)C

Other Names for this Substance

  • L-Phenylalanine, L-α-aspartyl-, 2-methyl ester, compd. with 6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide (1:1)
  • L-Phenylalanine, N-L-α-aspartyl-, 1-methyl ester, compd. with 6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide (1:1)
  • 1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, compd. with N-L-α-aspartyl-L-phenylalanine 1-methyl ester (1:1)
  • 1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, compd. with L-α-aspartyl-L-phenylalanine 2-methyl ester (1:1)
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CAS INSIGHTSTM
Targeted protein degrader structure, illustration