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

CAS Registry Number®

1738-78-9

CAS Name

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

Molecular Formula

C16H17NO2.C7H8O3S

Cite this Page

L-Phenylalanine, 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=1738-78-9 (retrieved 2024-11-22) (CAS RN: 1738-78-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    170.5-171.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H17NO2.C7H8O3S/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,15H,11-12,17H2;2-5H,1H3,(H,8,9,10)/t15-;/m0./s1

InChIKey

InChIKey=ZLZGBBIPWXUQST-RSAXXLAASA-N

SMILES

C([C@@H](C(OCC1=CC=CC=C1)=O)N)C2=CC=CC=C2.S(=O)(=O)(O)C1=CC=C(C)C=C1

Canonical SMILES

O=C(OCC=1C=CC=CC1)C(N)CC=2C=CC=CC2.O=S(=O)(O)C1=CC=C(C=C1)C

Other Names for this Substance

  • L-Phenylalanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
  • Alanine, phenyl-, benzyl ester, p-toluenesulfonate, L-
  • L-Phenylalanine, phenylmethyl ester, 4-methylbenzenesulfonate
  • Alanine, phenyl-, benzyl ester, p-toluenesulfonate
  • L-Phenylalanine benzyl ester p-toluenesulfonate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration