Compound Identification
SMILES
OC(=O)C1CSC(N1)C1=CC(Br)=C(OCC2=CC=CC=C2C#N)C=C1
InChIKey
InChIKey=NVFQVROOVDDCDH-UHFFFAOYSA-N
Formula
C18H15BrN2O3S
Mass
419.29
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
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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
Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Bromobenzenes Aryl bromides Thiazolidines Amino acids Secondary amines Nitriles Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Dialkylthioether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Thioether - Secondary amine - Amine - Cyanide - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic 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