Structure Information
Structure

Compound Identification

SMILES

CO\N=C(/CN(C)C(=O)C1=CC(Cl)=CC(Cl)=C1)C(CCN1CCC(CC1)N1CCCN(C[C@@H](CC2=CC=C(O)C=C2)C(N)=O)C1=O)C1=CC(Cl)=C(Cl)C=C1

InChIKey

InChIKey=JPLIJBSJYPBEAR-JRLUMHPNSA-N

Formula

C39H46Cl4N6O5

Mass

820.63

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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 - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - 1,3-dichlorobenzene - Benzoyl - 1,2-dichlorobenzene - Halobenzene - Aralkylamine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Pyrimidone - Chlorobenzene - Fatty amide - 1,3-diazinane - Aryl chloride - Pyrimidine - Aryl halide - Piperidine - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Urea - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Primary carboxylic acid amide - Oxime ether - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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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