N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanine

CAS Registry Number®

5446-58-2

CAS Name

N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanine

Molecular Formula

C13H17NO6S

Molecular Mass

315.34

Cite this Page

N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5446-58-2 (retrieved 2024-11-22) (CAS RN: 5446-58-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    168-170 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H17NO6S/c1-10-2-4-11(5-3-10)21(19,20)14(8-6-12(15)16)9-7-13(17)18/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18)

InChIKey

InChIKey=LBANXBGLPMAEBA-UHFFFAOYSA-N

SMILES

N(S(=O)(=O)C1=CC=C(C)C=C1)(CCC(O)=O)CCC(O)=O

Canonical SMILES

O=C(O)CCN(CCC(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

Other Names for this Substance

  • β-Alanine, N-(2-carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-
  • Propionic acid, 3,3′-[(p-tolylsulfonyl)imino]di-
  • N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanine
  • NSC 17334

CAS INSIGHTSTM
Targeted protein degrader structure, illustration