Structure Information
Structure

Compound Identification

SMILES

OC(=O)C[C@H](NC(=O)C1=CC(=CN=C1)S(=O)(=O)NC1CC1)C(=O)COC1=CC=CC=C1

InChIKey

InChIKey=POFDGSNUKFGWMD-KRWDZBQOSA-N

Formula

C20H21N3O7S

Mass

447.46

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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 - Pyridine-3-sulfonamide - Nicotinamide - Pyridine carboxylic acid or derivatives - Phenoxy compound - Gamma-keto acid - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Keto acid - Monosaccharide - Pyridine - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - 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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