Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]1(CC2=CC=C(F)C=C2)C2C(CN1C(=O)C1=CC=CC=C1)CC1=C2C=C(N1CCCNC1=C(Cl)C=C(C=N1)C(F)(F)F)C(=O)N1CCCC1

InChIKey

InChIKey=YWTXJAZVXGPDGW-HEAAOXPWSA-N

Formula

C39H38ClF4N5O4

Mass

752.21

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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 - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-alpha-amino acid - Alpha-amino acid ester - Amphetamine or derivatives - Benzoic acid or derivatives - Benzamide - N-acylpyrrolidine - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Benzoyl - Aminopyridine - Fluorobenzene - Halobenzene - Fatty acid ester - Substituted pyrrole - Pyridine - Monocyclic benzene moiety - Benzenoid - Imidolactam - Aryl chloride - Fatty acyl - Aryl halide - Aryl fluoride - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organohalogen compound - Amine - Organic nitrogen compound - Alkyl halide - Carbonyl group - Organic oxygen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organofluoride - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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