Compound Identification
SMILES
COC(=O)CN(C(=O)CSC(=O)C1=CC=CC=C1)C1=C(C)C=CC(Br)=C1C
InChIKey
InChIKey=OWGBFZWVIJIXGK-UHFFFAOYSA-N
Formula
C20H20BrNO4S
Mass
450.35
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
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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
Thiobenzoic acids and derivatives Anilides Benzoic acids and derivatives m-Xylenes Benzoyl derivatives Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Methyl esters Thioesters Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Organobromides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Anilide - Benzoic acid or derivatives - Thiobenzoic acid or derivatives - M-xylene - Xylene - Benzoyl - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Methyl ester - Carbothioic s-ester - Carboxylic acid ester - Thiocarboxylic acid ester - Carboxamide group - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Sulfenyl compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - 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 alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available