Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=DMXRDEDUJWJRKV-UHFFFAOYSA-N

Formula

C27H31N5O6S

Mass

553.63

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