Compound Identification
SMILES
CC(SCC1=CC=CC=C1)C(NC(C)=O)C(O)=O
InChIKey
InChIKey=XXPFZRAVDWYRES-UHFFFAOYSA-N
Formula
C13H17NO3S
Mass
267.34
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
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
-
Level 7
N-acyl-alpha amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Thia fatty acids Benzene and substituted derivatives Acetamides Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha-amino acid - Thia fatty acid - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Dialkylthioether - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available