Compound Identification
SMILES
COC(=O)[C@@H]1CCC(N1C(=O)CNC(=O)C(CC1=CC=C(Cl)C=C1)SC(C)=O)C1=CC=CC=C1O
InChIKey
InChIKey=IIYGIIVTTBZHHF-FUHYEJFZSA-N
Formula
C25H27ClN2O6S
Mass
519.01
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
Alpha amino acid esters N-acyl-alpha amino acids Proline and derivatives Alpha amino acid amides Phenylpyrrolidines Pyrrolidine carboxylic acids N-acylpyrrolidines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Fatty amides Pyrroles Tertiary carboxylic acid amides Methyl esters Secondary carboxylic acid amides Thioesters Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha peptide - Alpha-amino acid ester - Proline or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - 2-phenylpyrrolidine - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxamide group - Carboxylic acid ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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