Structure Information
Structure

Compound Identification

SMILES

Cl.N[C@@H](CC1=CC=CC=C1)C(O)=O.CN(CCCN1C2=CC=CC=C2CCC2=CC=CC=C12)CC(=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=MXSUWEDJPAIUQN-JGUUTJLBSA-N

Formula

C35H39Cl2N3O3

Mass

620.62

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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

Not available

Substituents

Phenylalanine or derivatives - Dibenzazepine - Alkyl-phenylketone - Alkyldiarylamine - Benzazepine - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Phenylketone - Benzoyl - Tertiary aliphatic/aromatic amine - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Aralkylamine - Halobenzene - Azepine - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Alpha-aminoketone - Ketone - Tertiary aliphatic amine - Tertiary amine - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic 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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