Compound Identification
SMILES
COC(=O)C(CCC(O)=O)NC(=O)C1CC(CN1C(=O)CSC)NC(=O)NC1=C(F)C=C(F)C=C1
InChIKey
InChIKey=INFRJTYAAWACRO-UHFFFAOYSA-N
Formula
C21H26F2N4O7S
Mass
516.52
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- 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
Not available
Direct Parent
Peptides
Alternative Parents
Glutamic acid and derivatives Proline and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alpha amino acid amides N-phenylureas Pyrrolidinecarboxamides N-acylpyrrolidines Fatty acid esters Fluorobenzenes Aryl fluorides Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Methyl esters Ureas Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Carbonyl compounds Organofluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha peptide - Glutamic acid or derivatives - Alpha-amino acid ester - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-phenylurea - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - Secondary carboxylic acid amide - Urea - Carboxamide group - Carboxylic acid ester - Thioether - Sulfenyl compound - Dialkylthioether - Organoheterocyclic compound - Azacycle - Carboxylic acid - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
External Descriptors
Not available