Structure Information
Structure

Compound Identification

SMILES

CO\N=C(/C(=O)N[C@H]1CN2CC(C(=O)OCC3=CC=CC=C3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1

InChIKey

InChIKey=XFMNHMLQSNVIFM-VAOUYBGWSA-N

Formula

C21H20N6O7S

Mass

500.49

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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

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Benzyloxycarbonyl - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Benzenoid - Pyrazolidinone - Azole - Heteroaromatic compound - Pyrazolidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Pyrazoline - Amino acid - Carboxamide group - Carboxylic acid ester - Carboxylic acid hydrazide - Secondary carboxylic acid amide - Azacycle - Carboxylic acid - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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