Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](O)CN(CC1=CC=CC=C1)[C@@H](CC(O)=O)C(O)=O

InChIKey

InChIKey=GBTWMRBLJWYGSS-HKUYNNGSSA-N

Formula

C21H25NO8S

Mass

451.49

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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

Aspartic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Aspartic acid or derivatives - Benzenesulfonate ester - P-methylbenzenesulfonate - Alpha-amino acid - L-alpha-amino acid - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzylamine - Phenylmethylamine - Toluene - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Organosulfonic acid ester - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Secondary alcohol - Amino acid - Tertiary amine - 1,2-aminoalcohol - Carboxylic acid - Amine - Alcohol - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid 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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