Compound Identification
SMILES
CC(O)[C@]1(Br)[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=SGPFDIUKJPIRKQ-KIAVFKAQSA-N
Formula
C17H20BrNO4S
Mass
414.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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
-
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 Penams Thiazolidines Tertiary carboxylic acid amides Azetidines Bromohydrins Carboxylic acid esters Secondary alcohols Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Thiohemiaminal derivatives Hydrocarbon derivatives Alkyl bromides Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzyloxycarbonyl - Penam - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Thiazolidine - Tertiary carboxylic acid amide - Azetidine - Bromohydrin - Carboxamide group - Carboxylic acid ester - Halohydrin - Secondary alcohol - Lactam - Azacycle - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alkyl halide - Carbonyl group - Alkyl bromide - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - 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