Compound Identification
SMILES
CCN(CC(=O)NC1=C(C)C=CC(Cl)=C1)C(=O)CSC1=NC=C(C#N)C(N)=N1
InChIKey
InChIKey=DCYLOKJLSHIFPR-UHFFFAOYSA-N
Formula
C18H19ClN6O2S
Mass
418.9
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Anilides N-arylamides Toluenes Alkylarylthioethers Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Nitriles Primary amines Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Anilide - Aryl thioether - N-arylamide - Aminopyrimidine - Chlorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Tertiary carboxylic acid amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Thioether - Azacycle - Sulfenyl compound - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organic oxide - Cyanide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organosulfur compound - Primary amine - Organic nitrogen compound - Amine - 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