Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC(N1CCC(CC1)NC1=NC(=CS1)C1=CC=C(C=C1)C(N)=N)C(=O)OC

InChIKey

InChIKey=QXYIBQANABNMAH-UHFFFAOYSA-N

Formula

C21H27N5O4S

Mass

445.54

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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 heteromonocyclic compounds

Substituents

Aspartic acid or derivatives - Alpha-amino acid ester - 2,4-disubstituted 1,3-thiazole - Fatty acid ester - Fatty acid methyl ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - 1,3-thiazol-2-amine - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Methyl ester - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Amidine - Azacycle - Organoheterocyclic compound - Carboximidamide - Carboxylic acid amidine - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic 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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