Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)C(O[C@@H]1C[C@@H]3N(C1)C(=O)[C@H](CCCCC\C=C/[C@@H]1C[C@]1(NC3=O)C(=O)NS(=O)(=O)C1(C)CC1)NC1=CC(F)=CC(=C1)C(F)(F)F)=CC(=N2)C1=CC=CC=C1

InChIKey

InChIKey=BWRWAFLQSCBQSK-UJJSAFAKSA-N

Formula

C45H47F4N5O7S

Mass

877.95

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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

Peptides

Direct Parent

Cyclic peptides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cyclic alpha peptide - Phenylquinoline - Macrolactam - Alpha-amino acid amide - 2-phenylpyridine - Quinoline - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Anisole - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Fluorobenzene - Halobenzene - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Cyclopropanecarboxylic acid or derivatives - Aryl halide - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Lactam - Secondary amine - Azacycle - Organoheterocyclic compound - Ether - Organohalogen compound - Organopnictogen compound - Carbonyl group - Organofluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alkyl fluoride - Amine - Alkyl halide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.

External Descriptors

Not available

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