Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(NC(=O)C[C@H](C)[NH2+][C@@H]2CCSC3=CC=CC=C23)=C1

InChIKey

InChIKey=GBHNLGZJDNHEAB-KBXCAEBGSA-O

Formula

C20H25N2O2S

Mass

357.49

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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 - Thiochromane - 1-benzothiopyran - Benzothiopyran - Methoxyaniline - Anilide - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Thiopyran - Benzenoid - Quaternary ammonium salt - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Thioether - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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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