Structure Information
Structure

Compound Identification

SMILES

[Ca++].OC1=CC(=C(O)C=C1)S([O-])(=O)=O.OC1=CC(=C(O)C=C1)S([O-])(=O)=O.CCN(CC)CC(=O)NC1=C(C)C=CC=C1C

InChIKey

InChIKey=GOBVLJWTNXXFIZ-UHFFFAOYSA-L

Formula

C26H32CaN2O11S2

Mass

652.74

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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

Alpha amino acid amides

Alternative Parents

Molecular Framework

Not available

Substituents

Alpha-amino acid amide - Benzenesulfonate - Benzenesulfonyl group - Anilide - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - M-xylene - Xylene - N-arylamide - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Organic calcium salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.

External Descriptors

Not available

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