Structure Information
Structure

Compound Identification

SMILES

CNC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)C1=C2OCCC(NCC3=CN=CN3CC3=CC=C(C=C3)C3=CN=CO3)C2=CC=C1

InChIKey

InChIKey=PXXAAGVAPONZNH-BDCODIICSA-N

Formula

C34H33ClN6O4

Mass

625.13

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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 - Alpha-amino acid amide - Phenyl-1,3-oxazole - Amphetamine or derivatives - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Benzenoid - Fatty acyl - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Fatty amide - Oxazole - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Oxacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - 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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