Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)O[C@H]([C@@H](N[S@](=O)C(C)(C)C)C1=CN=CC=C1)C(=O)OCC1=CC=CC=C1

InChIKey

InChIKey=XHDBUAXPKMGCQC-HHNQAUGVSA-N

Formula

C24H32N2O6S

Mass

476.59

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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 - Benzyloxycarbonyl - Fatty acid ester - Monocyclic benzene moiety - Carbonic acid diester - Monosaccharide - Pyridine - Benzenoid - Fatty acyl - Heteroaromatic compound - Aminosulfinyl compound - Sulfinic acid derivative - Sulfinic acid amide - Carboxylic acid ester - Carbonic acid derivative - Sulfinyl compound - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - 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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