Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=NO1)C1CCCN1CCC(=O)NC1=C(SC=C1)C(O)=O

InChIKey

InChIKey=PKPNFXVWVSGIDA-UHFFFAOYSA-N

Formula

C16H19N3O4S

Mass

349.41

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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 - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - N-arylamide - Aralkylamine - N-alkylpyrrolidine - Azole - Isoxazole - Pyrrolidine - Thiophene - Vinylogous amide - Heteroaromatic compound - Amino acid - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxygen compound - Organic oxide - 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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