Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1OC[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=CN=C2NC(N)=NC(=O)C2=N1

InChIKey

InChIKey=KTZDVRKOTQKXEU-JAXLGGSGSA-N

Formula

C32H37N9O7

Mass

659.704

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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 heteropolycyclic compounds

Substituents

Asparagine or derivatives - N-acyl-alpha amino acid or derivatives - Pterin - Alpha-amino acid amide - Pteridine - Amphetamine or derivatives - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - Benzoic acid or derivatives - Benzamide - Phenol ether - Benzoyl - Phenoxy compound - 2-heteroaryl carboxamide - Pyrimidone - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Pyrazine - Monocyclic benzene moiety - N-acyl-amine - Benzenoid - Fatty amide - Fatty acyl - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Carbonyl group - Primary amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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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