Structure Information
Structure

Compound Identification

SMILES

CN1C=C(NC(=O)C2=CC(NC(=O)C3=NC(NC(=O)C4=C(Cl)C=CS4)=CN3C)=CN2C)C=C1C(=O)NCCN1CCOCC1

InChIKey

InChIKey=BWFCCDKJQPXGEV-UHFFFAOYSA-N

Formula

C28H32ClN9O5S

Mass

642.13

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Peptidomimetics

Subclass

Imidazole-pyrrole oligo- and polyamides

Intermediate Tree Nodes

Not available

Direct Parent

Imidazole-pyrrole oligo- and polyamides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Imidazole-pyrrole oligoamide fragment - 1,2,4-trisubstituted-imidazole - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Trisubstituted imidazole - N-substituted imidazole - Imidolactam - N-methylpyrrole - Aryl halide - Aryl chloride - Morpholine - Substituted pyrrole - Oxazinane - Heteroaromatic compound - Vinylogous halide - Azole - Thiophene - Pyrrole - Imidazole - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as imidazole-pyrrole oligo- and polyamides. These are polycyclic aromatic peptidomimetics consisting of alternating pyrrole and imidazole rings connected by a carboxamide group to form a N-(1H-pyrrol-3-yl)-1H-imidazole-2-carboxamide moiety.

External Descriptors

Not available

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