Structure Information
Structure

Compound Identification

SMILES

CC(C)C(NC(=O)OCC1=CC=CC=C1)C1=NOC(CC2=CC=CC=C2)(C1)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)C1=C(Cl)C=CC=C1Cl

InChIKey

InChIKey=AENHVHNUHDDEQX-NWADTYJUSA-N

Formula

C35H35Cl2N3O9

Mass

712.58

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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 - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzyloxycarbonyl - Benzoic acid or derivatives - Gamma-keto acid - 1,3-dichlorobenzene - Benzoyl - Chlorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Fatty amide - Keto acid - Monosaccharide - Fatty acyl - Carbamic acid ester - Isoxazoline - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Oxime ether - Ketone - Carboxylic acid - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - 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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