Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C(Cl)=C(C=C1)C(NC1=CC=C(C=C1)C(N)=N)C(=O)NNC1=C(C=CC=N1)C(=O)OC(=O)C(F)(F)F

InChIKey

InChIKey=HJYUIQXEALDTCB-UHFFFAOYSA-N

Formula

C25H22ClF3N6O6

Mass

594.93

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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

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenylacetamide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Phenoxy compound - Anisole - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Phenol ether - Secondary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aralkylamine - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyridine - Imidolactam - Benzenoid - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Vinylogous amide - Carboxylic acid anhydride - Heteroaromatic compound - Carboxylic acid hydrazide - Azacycle - Carboximidamide - Secondary amine - Organoheterocyclic compound - Amidine - Carboxylic acid amidine - Ether - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organic oxide - Amine - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organochloride - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

External Descriptors

Not available

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