Structure Information
Structure

Compound Identification

SMILES

C(CNCC1=CC=CC=C1)NCC1=CC=CC=C1.O[C@H](CNC(=O)C1=CC=C(CN(C(=O)NC2=CC(Cl)=CC(Cl)=C2)C2=CC=C(C=C2)C2=CCCCC2)C=C1)C(O)=O

InChIKey

InChIKey=MGFPDYHUQIIGRZ-HZPIKELBSA-N

Formula

C46H49Cl2N5O5

Mass

822.83

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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

Not available

Substituents

Beta amino acid or derivatives - N-phenylurea - Benzamide - Benzoic acid or derivatives - Benzoyl - Benzylamine - 1,3-dichlorobenzene - Phenylmethylamine - Aralkylamine - Chlorobenzene - Halobenzene - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Monosaccharide - Secondary alcohol - Secondary carboxylic acid amide - Urea - Carboxamide group - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic 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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