Structure Information
Structure

Compound Identification

SMILES

CS(O)(=O)=O.CC1=C(C(C)=NO1)S(=O)(=O)C[C@@H](CNC(=O)C[C@H]1CC(=NO1)C1=CC=C(C=C1)C(N)=N)C(O)=O

InChIKey

InChIKey=GWIAIOXITQJFLU-QNBGGDODSA-N

Formula

C22H29N5O10S2

Mass

587.62

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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

Not available

Substituents

Beta amino acid or derivatives - Monocyclic benzene moiety - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Isoxazoline - Methanesulfonate - Sulfone - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboximidamide - Organoheterocyclic compound - Carboxylic acid amidine - Amidine - Carboxylic acid - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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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