Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCC1=CC=C(CN2C=NC=C2CNC2CCOC3=C(C=CC=C23)C(=O)NC(CC2=CC=C(Cl)C=C2)C(N)=O)C=C1

InChIKey

InChIKey=KHLLAPSSCAEPRI-UHFFFAOYSA-N

Formula

C34H36ClN5O5

Mass

630.14

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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 - N-acyl-alpha amino acid or derivatives - Amphetamine or derivatives - Chromane - Benzopyran - 1-benzopyran - Imidazolyl carboxylic acid derivative - Alkyl aryl ether - Chlorobenzene - Fatty acid ester - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - N-substituted imidazole - Benzenoid - Methyl ester - Azole - Heteroaromatic compound - Imidazole - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Secondary aliphatic amine - Ether - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organochloride - Organohalogen compound - Organooxygen compound - Organonitrogen 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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