Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=FADFNNNEFGZVCA-CJLVFECKSA-O

Formula

C20H27N4O7S

Mass

467.52

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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 heteropolycyclic compounds

Substituents

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