Compound Identification
SMILES
CC1(C)S[C@H]2N([C@H]1C(O)=O)C(=O)C2(Br)C(=O)C(O)C1=CC=C(CCl)C=C1
InChIKey
InChIKey=XRFOYXOEVFEQFH-APOVPAKTSA-N
Formula
C17H17BrClNO5S
Mass
462.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Penams Benzyl chlorides Acyloins Thiazolidines Tertiary carboxylic acid amides Alpha-haloketones Alpha-hydroxy ketones Tertiary amines Secondary alcohols Amino acids Azetidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Aromatic alcohols Organic oxides Alkyl bromides Alkyl chlorides Hydrocarbon derivatives Organochlorides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Penam - Benzyl chloride - Benzyl halide - Acyloin - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Alpha-hydroxy ketone - Beta-lactam - Tertiary carboxylic acid amide - Thiazolidine - Amino acid - Azetidine - Carboxamide group - Ketone - Lactam - Secondary alcohol - Tertiary amine - Hemithioaminal - Thioether - Dialkylthioether - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Aromatic alcohol - Alkyl halide - Alkyl chloride - Organohalogen compound - Organobromide - Carbonyl group - Organochloride - Alcohol - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Alkyl bromide - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available