Structure Information
Structure

Compound Identification

SMILES

NC(CS)CNC1=C(OCC(=O)N[C@@H](CC(N)=O)C(O)=O)N=C(C=C1)C1=CC=CC=C1

InChIKey

InChIKey=OHTNPPYQAXIMRD-VYIIXAMBSA-N

Formula

C20H25N5O5S

Mass

447.51

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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

Asparagine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Asparagine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 2-phenylpyridine - Alkyl aryl ether - Aminopyridine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridine - Fatty amide - Fatty acyl - Benzenoid - Heteroaromatic compound - Primary carboxylic acid amide - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Alkylthiol - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Aromatic heteromonocyclic compound

Description

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