N-Benzoyl-L-tyrosine - ≥98%(HPLC)(T) , CAS No.2566-23-6

CAS: 2566-23-6 Cat. No.: N159364 Molecular Weight: 285.3

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

DTXSID60180357 | N-Benzoyl-L-tyrosine | SCHEMBL3404637 | AS-68096 | A817957 | AKOS010366352 | L-Tyrosine, N-benzoyl- | benzoyl-l-tyrosine | BENZOYLTYROSINE | B1911 | Bz-L-Tyr-OH | (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid | (2S)-3-(4-hydroxypheny

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID60180357 | N-Benzoyl-L-tyrosine | SCHEMBL3404637 | AS-68096 | A817957 | AKOS010366352 | L-Tyrosine, N-benzoyl- | benzoyl-l-tyrosine | BENZOYLTYROSINE | B1911 | Bz-L-Tyr-OH | (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid | (2S)-3-(4-hydroxypheny

Specifications & Purity

≥98%(HPLC)(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)(T)

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O
• IUPAC Name: (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
• InChIKey: KUUUDPTUEOKITK-AWEZNQCLSA-N
• INCHI: 1S/C16H15NO4/c18-13-8-6-11(7-9-13)10-14(16(20)21)17-15(19)12-4-2-1-3-5-12/h1-9,14,18H,10H2,(H,17,19)(H,20,21)/t14-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O
• Molecular Weight: 285.3
• Reaxy-Rn: 3213248
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3213248&ln=

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 N-acyl-alpha amino acids Hippuric acids Phenylpropanoic acids Amphetamines and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - 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

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: -77.5° (C=1,DMF)
• Molecular Weight: 285.290 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 285.1 Da
• Monoisotopic Mass: 285.1 Da
• Topological Polar Surface Area: 86.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 357.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1