Structure Information
Structure

Compound Identification

SMILES

CC1=CN(C=C1C(NC1=CC=C(C=C1)C(=O)NCCC(O)=O)C1CCCCC1)C1=CC(Cl)=NC=C1

InChIKey

InChIKey=DDZVQDVBWUSAIP-UHFFFAOYSA-N

Formula

C27H31ClN4O3

Mass

495.02

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Aralkylamine - 2-halopyridine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Benzenoid - Substituted pyrrole - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Amine - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organochloride - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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