Structure Information
Structure

Compound Identification

SMILES

CN(CCSC1=CC=C(CC(NC2=CC=CC=C2C(=O)C2=CC=CC=C2)C(O)=O)C=C1)C1=CC=CC(=N1)N(C)CCSC1=CC=C(CC(NC2=CC=CC=C2C(=O)C2=CC=CC=C2)C(O)=O)C=C1

InChIKey

InChIKey=BQOIKYFUNOTTQE-UHFFFAOYSA-N

Formula

C55H53N5O6S2

Mass

944.18

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Taxonomic Classification

Taxonomy Tree

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

Phenylalanine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenylalanine or derivatives - Benzophenone - Diphenylmethane - Aryl-phenylketone - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Aryl ketone - Dialkylarylamine - Aniline or substituted anilines - Phenylalkylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Aminopyridine - Alkylarylthioether - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Vinylogous amide - Heteroaromatic compound - Ketone - Amino acid - Secondary amine - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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