Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)N1[C@@H](CS[C@@H]1C1=CC=CC=C1)C(=O)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)O[N+]([O-])=O

InChIKey

InChIKey=PQXLTLBSQSKZQB-SQZHQNNWSA-N

Formula

C21H27N3O8S

Mass

481.52

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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

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Furofuran - Monocyclic benzene moiety - Benzenoid - Organic nitrate - Oxolane - Thiazolidine - Carbamic acid ester - Alkyl nitrate - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic nitric acid or derivatives - Oxacycle - Dialkylthioether - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Thioether - Organoheterocyclic compound - Dialkyl ether - Ether - Organic salt - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

External Descriptors

Not available

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