Structure Information
Structure

Compound Identification

SMILES

CN(C)CCCNC(=O)C1=CC(NC(=O)C2=CC(NC(=O)C3=NC(NC(=O)CCCNC(=O)C4=CC(NC(=O)C5=CC(NC(=O)C6=NC(NC(=O)CCNC(=S)NC7=CC(C(O)=O)=C(C=C7)C7=C8C=CC(=O)C=C8OC8=C7C=C(O)C=C8)=CN6C)=CN5C)=CN4C)=CN3C)=CN2C)=CN1C

InChIKey

InChIKey=DHHPIQHQSVHWLF-UHFFFAOYSA-N

Formula

C67H71N19O13S

Mass

1382.49

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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 heteropolycyclic compounds

Substituents

Imidazole-pyrrole oligoamide fragment - Xanthene - Dibenzopyran - Gamma amino acid or derivatives - Beta amino acid or derivatives - 1-benzopyran - N-phenylthiourea - Benzopyran - Benzoic acid or derivatives - Benzoic acid - 1,2,4-trisubstituted-imidazole - Imidazolyl carboxylic acid derivative - N-arylamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Trisubstituted imidazole - Benzoyl - 2-heteroaryl carboxamide - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty amide - Fatty acyl - N-methylpyrrole - N-substituted imidazole - Imidolactam - Benzenoid - Substituted pyrrole - Azole - Pyrrole - Imidazole - Heteroaromatic compound - Cyclic ketone - Tertiary aliphatic amine - Thiourea - Tertiary amine - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic 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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