(S)-2-(Benzylamino)-3-(4-hydroxyphenyl)propanoic acid , CAS No.75768-66-0

CAS: 75768-66-0 Cat. No.: S1452985 Molecular Weight: 271.319 EC Number: 668-872-0 PubChem CID: 24209771

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

(S)-2-(Benzylamino)-3-(4-hydroxyphenyl)propanoic acid is a tyrosine derivative.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)CNC(CC2=CC=C(C=C2)O)C(=O)O
• IUPAC Name: (2S)-2-(benzylamino)-3-(4-hydroxyphenyl)propanoic acid
• InChIKey: WUTPXBXSEMJIDW-HNNXBMFYSA-N
• INCHI: 1S/C16H17NO3/c18-14-8-6-12(7-9-14)10-15(16(19)20)17-11-13-4-2-1-3-5-13/h1-9,15,17-18H,10-11H2,(H,19,20)/t15-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)CN[C@@H](CC2=CC=C(C=C2)O)C(=O)O
• PubChem CID: 24209771
• Molecular Weight: 271.319

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Tyrosine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Tyrosine and derivatives
• Alternative Parents: Phenylalanine and derivatives Phenylpropanoic acids L-alpha-amino acids Amphetamines and derivatives Phenylmethylamines Benzylamines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - L-alpha-amino acid - Amphetamine or derivatives - Benzylamine - Phenylmethylamine - Aralkylamine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Amino acid - Secondary aliphatic amine - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y