Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.CN(C)[C@@H]1CCN(CC(=O)N2CCC(CN3C=C4C(CCC5=C4SC4=NC=NC(NC6=CC(Cl)=C(OCC7=CC(F)=CC=C7)C=C6)=C54)=N3)CC2)C1

InChIKey

InChIKey=YBPNKXMQOJWALD-LNLSOMNWSA-N

Formula

C40H43ClF4N8O4S

Mass

843.34

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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

Not available

Substituents

Alpha-amino acid or derivatives - N-acyl-piperidine - Thienopyrimidine - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Fluorobenzene - Chlorobenzene - N-alkylpyrrolidine - Benzenoid - Imidolactam - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Piperidine - Pyrimidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Azole - Thiophene - Tertiary carboxylic acid amide - Pyrrolidine - Pyrazole - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Carbonyl group - Organooxygen compound - Organonitrogen compound - Alkyl fluoride - Organofluoride - Organic nitrogen compound - Aromatic heteropolycyclic 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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