Structure Information
Structure

Compound Identification

SMILES

C[C@H](NC(=O)OCCS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O

InChIKey

InChIKey=GGCNVMXIYBYFCH-QMMMGPOBSA-N

Formula

C12H14N2O8S

Mass

346.31

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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 - Alpha amino acids and derivatives

Direct Parent

Alanine and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alanine or derivatives - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Sulfone - Carbamic acid ester - C-nitro compound - Organic nitro compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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