Structure Information
Structure

Compound Identification

SMILES

COC(=O)NC(=NC[C@@H](C)C1=C(NC2=C1C=C(S2)C(C)(C)C(=O)N1C2CCC1CC2)C1=CC(C)=CC(C)=C1)N1CCC(C1)C1=CC=NC=C1

InChIKey

InChIKey=LBNVTKXFWRBTPJ-IEXYTZDRSA-N

Formula

C39H48N6O3S

Mass

680.91

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroles

Subclass

Substituted pyrroles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrroles

Alternative Parents

m-Xylenes Thienopyrroles 2,3,5-trisubstituted thiophenes N-acylpyrrolidines Pyridines and derivatives Tertiary carboxylic acid amides Azoles Heteroaromatic compounds Methylcarbamates Guanidines Tertiary amines Azacyclic compounds Carboximidamides Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenylpyrrole - N-acylpyrrolidine - M-xylene - Xylene - 2,3,5-trisubstituted thiophene - Thienopyrrole - Monocyclic benzene moiety - Pyridine - Benzenoid - Methylcarbamate - Azole - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Carbamic acid ester - Thiophene - Amino acid or derivatives - Carboxamide group - Guanidine - Tertiary amine - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.

External Descriptors

Not available

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