Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)C(F)(F)F.CCCS(=O)(=O)N1C2C[N+](CC3=CC=C(C=C3)C(=O)NCCC(O)=O)(C\C2=N/O)CC1=O

InChIKey

InChIKey=AGHDAGPIIOGODR-YHLMHSEJSA-N

Formula

C22H27F3N4O9S

Mass

580.53

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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

Not available

Substituents

Beta amino acid or derivatives - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - 1,4-diazepane - Aralkylamine - N-alkylpiperazine - Diazepane - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - 1,4-diazinane - Piperazine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Tetraalkylammonium salt - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Quaternary ammonium salt - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Oxime - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carbonyl group - Organic zwitterion - Organofluoride - Amine - Hydrocarbon derivative - Alkyl halide - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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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