Structure Information
Structure

Compound Identification

SMILES

CCCCC1=CC(=O)OC2=CC(OC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)=C(Cl)C=C12

InChIKey

InChIKey=KHPSVQBDUNDOFD-UHFFFAOYSA-N

Formula

C27H30ClNO6

Mass

499.99

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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 heteropolycyclic compounds

Substituents

Phenylalanine or derivatives - Alpha-amino acid ester - Coumarin - Amphetamine or derivatives - 1-benzopyran - Benzopyran - Fatty acid ester - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Fatty acyl - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organohalogen 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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