(αS,βS)-β-[(2-Aminophenyl)thio]-α-hydroxy-4-methoxybenzenepropanoic acid

CAS Registry Number®

42399-48-4
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CAS Name

(αS,βS)-β-[(2-Aminophenyl)thio]-α-hydroxy-4-methoxybenzenepropanoic acid

Molecular Formula

C16H17NO4S

Molecular Mass

319.38

Cite this Page

(αS,βS)-β-[(2-Aminophenyl)thio]-α-hydroxy-4-methoxybenzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42399-48-4 (retrieved 2024-09-07) (CAS RN: 42399-48-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    138 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C16H17NO4S/c1-21-11-8-6-10(7-9-11)15(14(18)16(19)20)22-13-5-3-2-4-12(13)17/h2-9,14-15,18H,17H2,1H3,(H,19,20)/t14-,15+/m1/s1

InChIKey

InChIKey=KHQWPNQLSKDWAR-CABCVRRESA-N

SMILES

[C@@H](SC1=C(N)C=CC=C1)([C@H](C(O)=O)O)C2=CC=C(OC)C=C2

Canonical SMILES

O=C(O)C(O)C(SC=1C=CC=CC1N)C2=CC=C(OC)C=C2

Other Names for this Substance

  • Benzenepropanoic acid, β-[(2-aminophenyl)thio]-α-hydroxy-4-methoxy-, (αS,βS)-
  • Benzenepropanoic acid, β-[(2-aminophenyl)thio]-α-hydroxy-4-methoxy-, [S-(R*,R*)]-
  • (αS,βS)-β-[(2-Aminophenyl)thio]-α-hydroxy-4-methoxybenzenepropanoic acid
  • d-threo-2-Hydroxy-3-(2-aminophenylthio)-3-(4-methoxyphenyl)propionic acid

Deleted or Replaced CAS Registry Numbers

125467-70-1