Compound Identification
SMILES
COC1=CC2=CC(Cl)=NC(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(CF)CC3)=C2C=C1
InChIKey
InChIKey=UQASWOUAGMUYMN-KZXNQMCLSA-N
Formula
C39H48ClF4N5O9S
Mass
874.34
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
Macrolactams Alpha amino acid amides Isoquinolines and derivatives Anisoles Alkyl aryl ethers 2-halopyridines Aryl chlorides Cyclopropanecarboxylic acids and derivatives Organosulfonic acids and derivatives Aminosulfonyl compounds Pyrrolidines Tertiary carboxylic acid amides Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Alkyl fluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclic alpha peptide - Macrolactam - Alpha-amino acid amide - Alpha-amino acid or derivatives - Isoquinoline - Anisole - Phenol ether - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Tertiary carboxylic acid amide - Carbamic acid ester - Aminosulfonyl compound - Pyrrolidine - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Organoheterocyclic compound - Ether - Organonitrogen compound - Organosulfur compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organofluoride - 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