Structure Information
Structure

Compound Identification

SMILES

CC(SC1COC(OC1)\C=C\C=C\C1=C(F)C=C(C=C1)C#N)C(CN1C=NC=N1)(OC(=O)OCOC(=O)CCC(=O)NCCC(O)=O)C1=C(F)C=C(F)C=C1

InChIKey

InChIKey=XCPXDPZQKOYJKX-ZUVMSYQZSA-N

Formula

C36H36F3N5O10S

Mass

787.76

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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 - Benzyloxycarbonyl - Phenylpropane - Styrene - Benzonitrile - Halobenzene - Fluorobenzene - Fatty acid ester - N-acyl-amine - Meta-dioxane - Aryl fluoride - Fatty amide - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Carbonic acid diester - Benzenoid - 1,2,4-triazole - Azole - Heteroaromatic compound - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carbonic acid derivative - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Carboxylic acid - Thioether - Carbonitrile - Nitrile - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen 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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