Compound Identification
SMILES
[Na+].CCOC(=O)[C@@H](N)CS.[O-]C(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl
InChIKey
InChIKey=BYRMOISGYMRDOW-INZIHYEWSA-M
Formula
C19H21Cl2N2NaO4S
Mass
467.34
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 Alpha amino acid esters
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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
Alpha amino acid esters
Alternative Parents
Cysteine and derivatives Aniline and substituted anilines Dichlorobenzenes Primary aromatic amines Aryl chlorides Amino acids Carboxylic acid esters Carboxylic acid salts Secondary amines Alkylthiols Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organic sodium salts Organic zwitterions Organochlorides
Molecular Framework
Not available
Substituents
Alpha-amino acid ester - Cysteine or derivatives - 1,3-dichlorobenzene - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Carboxylic acid ester - Carboxylic acid salt - Amino acid - Secondary amine - Organic metal halide - Alkylthiol - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organic salt - Organohalogen compound - Organochloride - Primary aliphatic amine - Organonitrogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Organic oxide - Primary amine - Organic oxygen compound - Organic sodium salt - Organic zwitterion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available