Structure Information
Structure

Compound Identification

SMILES

COC1=C(Cl)C2=C(C=C1)C(O[C@@H]1C[C@@H]3N(C1)C(=O)[C@@H](NC(=O)OC1CCCC1)[C@H](C)OC(=O)CCC=C[C@@H]1C[C@]1(NC3=O)P(O)(=O)CC1=C(F)C=CC=C1F)=CC(=N2)C1=CSC(NC(C)C)=N1

InChIKey

InChIKey=JMIITOIWOXGNOH-WDOSFAJYSA-N

Formula

C46H52ClF2N6O10PS

Mass

985.43

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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

Alpha-dipeptide - Cyclic alpha peptide - Macrolactam - Haloquinoline - Chloroquinoline - Quinoline - Alpha-amino acid or derivatives - Phenol ether - Anisole - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Fluorobenzene - Halobenzene - Benzenoid - Pyridine - Aryl chloride - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - Carbamic acid ester - Thiazole - Tertiary carboxylic acid amide - Pyrrolidine - Carboxylic acid ester - Carboxamide group - Lactam - Secondary carboxylic acid amide - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organophosphorus compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Amine - Organochloride - Organohalogen compound - Organic oxide - 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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