Structure Information
Structure

Compound Identification

SMILES

COC1=NC(NCCCO)=NC(N[C@@H](CC2=CC=C(NC(=O)C3=CC(Cl)=NC(Cl)=C3)C=C2)C(O)=O)=N1

InChIKey

InChIKey=OZCODMDFKMBAAK-HNNXBMFYSA-N

Formula

C22H23Cl2N7O5

Mass

536.37

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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 - Aromatic anilide - 3-phenylpropanoic-acid - Amphetamine or derivatives - L-alpha-amino acid - Pyridine carboxylic acid or derivatives - Alkoxy-s-triazine - 2-methoxy-1,3,5-triazine - 2,4-diamine-s-triazine - Polyhalopyridine - 2-halopyridine - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - N-aliphatic s-triazine - Monocyclic benzene moiety - Aryl halide - Pyridine - Aryl chloride - Benzenoid - 1,3,5-triazine - Triazine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Alkanolamine - Azacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Primary alcohol - Alcohol - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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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