Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(O)=C1)C1=CC(CCCNC(=O)[C@@H](N)CC(N)=O)=C(O1)C=C1SC(=O)N(C2CC3CCC2C3)C1=O

InChIKey

InChIKey=VKFMTPXCFHJCCS-TXLIHVFHSA-N

Formula

C29H34N4O7S

Mass

582.67

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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 - Alpha-amino acid amide - Norbornane monoterpenoid - Monoterpenoid - Methoxyphenol - Bicyclic monoterpenoid - Aromatic monoterpenoid - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Thiazolidinedione - Phenol - Alkyl aryl ether - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - Thiazolidine - Furan - Dicarboximide - Thiocarbamic acid derivative - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - 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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