Compound Identification
SMILES
COC(=O)C(CSSCC(NCCC(=O)C1=CC=C(Br)S1)C(=O)OC)NCCC(=O)C1=CC=C(Br)S1
InChIKey
InChIKey=OWBQZPFOANIVAY-UHFFFAOYSA-N
Formula
C22H26Br2N2O6S4
Mass
702.51
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
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
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
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Cysteine and derivatives Aryl alkyl ketones 2,5-disubstituted thiophenes Dicarboxylic acids and derivatives Beta-amino ketones Aryl bromides Methyl esters Heteroaromatic compounds Dialkyldisulfides Sulfenyl compounds Dialkylamines Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Cysteine or derivatives - Aryl alkyl ketone - Aryl ketone - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Beta-aminoketone - Dicarboxylic acid or derivatives - Heteroaromatic compound - Methyl ester - Thiophene - Dialkyldisulfide - Carboxylic acid ester - Ketone - Organic disulfide - Organoheterocyclic compound - Secondary aliphatic amine - Sulfenyl compound - Secondary amine - Organosulfur compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available