Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(C=C1)C(CC(=O)N[C@H](C(C)C)C(=O)[C@H]1[C@H](C)C(=O)NC1=O)NC(=O)C1=C(F)N=CC=C1

InChIKey

InChIKey=BGUIPTOUEHTIIT-SZAPOGAKSA-N

Formula

C27H29FN4O7

Mass

540.548

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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 - Benzoate ester - Pyridine carboxylic acid or derivatives - Nicotinamide - Benzoic acid or derivatives - Benzoyl - 2-halopyridine - Fatty acyl - Pyridine - Fatty amide - Benzenoid - Aryl halide - 1,3-dicarbonyl compound - Aryl fluoride - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Pyrrolidine - Methyl ester - Carboxylic acid imide - Dicarboximide - Vinylogous halide - Carboxylic acid imide, n-unsubstituted - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organofluoride - Organic oxide - Hydrocarbon derivative - 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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