Structure Information
Structure

Compound Identification

SMILES

CC[C@@H](CC(=O)N1CC(=O)NCC(CC2=C(OC)C=CC(Cl)=C2)C1=O)C1=CC(N)=C(C=C1)C(O)=O

InChIKey

InChIKey=ARJLNVZIIPKOIE-MBIQTGHCSA-N

Formula

C25H28ClN3O6

Mass

501.96

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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 - Monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Aminobenzoic acid or derivatives - Aminobenzoic acid - Alpha-amino acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Phenylpropane - Aniline or substituted anilines - Benzoyl - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Diazepane - Halobenzene - 1,4-diazepane - Chlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Dicarboximide - Vinylogous amide - Carboxylic acid imide - Amino acid - Lactam - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Ether - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Amine - Carbonyl group - Primary amine - 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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