Structure Information
Structure

Compound Identification

SMILES

CSCCC(N1N=NC2=CC=CC=C2C1=O)C(=O)NC(CC(O)=O)C(O)=O

InChIKey

InChIKey=CICMJRQBLSAYCZ-UHFFFAOYSA-N

Formula

C16H18N4O6S

Mass

394.4

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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 heteropolycyclic compounds

Substituents

Aspartic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Acyl-homoserine - Benzo-1,2,3-triazine - Triazinone - Dicarboxylic acid or derivatives - 1,2,3-triazine - Fatty acyl - Fatty amide - N-acyl-amine - Benzenoid - Triazine - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Thioether - Dialkylthioether - Organoheterocyclic compound - Azacycle - Carboxylic acid - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic 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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