Compound Identification
SMILES
COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC1=CC=CC=C1)SC(C)=O
InChIKey
InChIKey=BFUOTHVDOQJIPP-WBAXXEDZSA-N
Formula
C21H28N2O5S
Mass
420.52
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
Alpha amino acid esters N-acyl-alpha amino acids Proline and derivatives Alpha amino acid amides N-acylpyrrolidines Pyrrolidine carboxylic acids N-acyl amines Benzene and substituted derivatives Methyl esters Tertiary carboxylic acid amides Thioesters Carbothioic S-esters Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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 - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Pyrrolidine - Methyl ester - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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