Compound Identification
SMILES
CC(=O)NC(CSC1=CC(Br)=CC=C1)C(=O)NCC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=KHKNIWONFDVQFV-UHFFFAOYSA-N
Formula
C19H19BrN2O4S
Mass
451.34
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
-
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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides Cysteine and derivatives Benzodioxoles Thiophenol ethers Alkylarylthioethers Bromobenzenes Aryl bromides Acetamides Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - Benzodioxole - Aryl thioether - Thiophenol ether - Halobenzene - Bromobenzene - Alkylarylthioether - Benzenoid - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Sulfenyl compound - Thioether - Acetal - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available