(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 acidMolecular Formula
C16H17NO4SMolecular Mass
319.38Cite 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 ) (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