Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC1=CN=CN1)NC(=O)C1=CSC(=N1)C1CCN(CC1)C(=O)C1=C(OC)C(OC)=C(OC)C=C1

InChIKey

InChIKey=DCVSSIBFUFERNS-UHFFFAOYSA-N

Formula

C26H31N5O7S

Mass

557.62

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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

Histidine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Histidine or derivatives - N-benzoylpiperidine - 1-benzoylpiperidine - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Benzoic acid or derivatives - N-acyl-piperidine - Benzamide - Benzoyl - 2-heteroaryl carboxamide - Phenol ether - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Imidazolyl carboxylic acid derivative - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Fatty acid ester - Benzenoid - Piperidine - Fatty acyl - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiazole - Methyl ester - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound

Description

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