Compound Identification
SMILES
[Na+].CC(CC=S)N([C@@H](C)C([O-])=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=YJLDXWNIIQXCRU-FTCYEJDNSA-M
Formula
C13H15ClNNaO2S
Mass
307.77
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 Alanine 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
Direct Parent
Alanine and derivatives
Alternative Parents
L-alpha-amino acids Aniline and substituted anilines Dialkylarylamines Chlorobenzenes Aryl chlorides Amino acids Carboxylic acid salts Thioaldehydes Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic sodium salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alanine or derivatives - Alpha-amino acid - L-alpha-amino acid - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid salt - Amino acid - Tertiary amine - Organic metal halide - Thioaldehyde - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organic salt - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Thiocarbonyl group - Organic oxygen compound - Organic zwitterion - Organic sodium salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available