Compound Identification
SMILES
COC(=O)[C@@H](CCSC)NC(=O)CNS(=O)(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=CSEZXGWZPOZYTJ-GFCCVEGCSA-N
Formula
C14H19BrN2O5S2
Mass
439.34
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
Methionine and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alpha amino acid amides Benzenesulfonamides Benzenesulfonyl compounds Fatty acid esters Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Methyl esters Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha peptide - Methionine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Fatty acid ester - Halobenzene - Bromobenzene - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organosulfonic acid amide - Aminosulfonyl compound - Methyl ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Dialkylthioether - Sulfenyl compound - Thioether - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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