Compound Identification
SMILES
COC1=CC=C(COC(=O)[C@@H]2N3[C@H](SC2(C)C)[C@@H](Br)C3=O)C=C1
InChIKey
InChIKey=GGRKYDYNNOJWNK-SGMGOOAPSA-N
Formula
C16H18BrNO4S
Mass
400.29
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
Benzyloxycarbonyls Anisoles Methoxybenzenes Penams Phenoxy compounds Alkyl aryl ethers Tertiary carboxylic acid amides Thiazolidines Carboxylic acid esters Azetidines Monocarboxylic acids and derivatives Dialkylthioethers Thiohemiaminal derivatives Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Alkyl bromides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzyloxycarbonyl - Phenoxy compound - Anisole - Penam - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Lactam - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic 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