Compound Identification
SMILES
CC(=O)NC(CSC1=CC(Br)=CC=C1)C(=O)N1CCOCC1
InChIKey
InChIKey=MURXEFMPUFHUFC-UHFFFAOYSA-N
Formula
C15H19BrN2O3S
Mass
387.29
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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides Thiophenol ethers Alkylarylthioethers Bromobenzenes Aryl bromides Morpholines Tertiary carboxylic acid amides Acetamides Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organonitrogen compounds Organic oxides Carbonyl compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Aryl thioether - Thiophenol ether - Alkylarylthioether - Halobenzene - Bromobenzene - Oxazinane - Benzenoid - Morpholine - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Acetamide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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