Structure Information
Structure

Compound Identification

SMILES

O=C(CCNC(=O)C1=CC=CS1)N1CCC[C@@H](C1)C1=NC2=CC=CC=C2O1

InChIKey

InChIKey=VPLCCIDXZMFUNO-AWEZNQCLSA-N

Formula

C20H21N3O3S

Mass

383.47

Export to:

JSON SDF CSV

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 - Benzoxazole - N-acyl-piperidine - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Piperidine - Benzenoid - Azole - Oxazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiophene - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen 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

Previous Back Next