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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Peptides
- Level 6 Cyclic peptides
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Level 5
Peptides
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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Superclass
Organic acids and derivatives
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
Phenylquinolines Macrolactams Alpha amino acid amides Phenylpyridines Trifluoromethylbenzenes Aniline and substituted anilines Phenylalkylamines Anisoles Alkyl aryl ethers Secondary alkylarylamines Fluorobenzenes Aryl fluorides Cyclopropanecarboxylic acids and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Organosulfonic acids and derivatives Pyrrolidines Aminosulfonyl compounds Lactams Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Carbonyl compounds Organofluorides Organic oxides
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