L-Isoleucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

CAS Registry Number®

16652-75-8

CAS Name

L-Isoleucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

Molecular Formula

C13H19NO2.C7H8O3S

Cite this Page

L-Isoleucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16652-75-8 (retrieved 2024-11-22) (CAS RN: 16652-75-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    153-155 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H19NO2.C7H8O3S/c1-3-10(2)12(14)13(15)16-9-11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,10,12H,3,9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/t10-,12-;/m0./s1

InChIKey

InChIKey=XAWVXTVKSVYPNE-JGAZGGJJSA-N

SMILES

C(OC([C@H]([C@H](CC)C)N)=O)C1=CC=CC=C1.S(=O)(=O)(O)C1=CC=C(C)C=C1

Canonical SMILES

O=C(OCC=1C=CC=CC1)C(N)C(C)CC.O=S(=O)(O)C1=CC=C(C=C1)C

Other Names for this Substance

  • L-Isoleucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
  • Isoleucine, benzyl ester, p-toluenesulfonate, L-
  • L-Isoleucine, phenylmethyl ester, 4-methylbenzenesulfonate
  • L-Isoleucine benzyl ester p-toluenesulfonate
  • Isoleucine benzyl ester tosylate

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Deleted or Replaced CAS Registry Numbers

51186-47-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration