Compound Identification
SMILES
Cl.COCC1=CC(=CC(COC)=C1)C(NC1=CC=C(C=C1)C(N)=N)C([O-])=O
InChIKey
InChIKey=IFLDQVFGPWTTHD-UHFFFAOYSA-M
Formula
C19H23ClN3O4
Mass
392.86
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 acids
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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 acids
Alternative Parents
Benzylethers Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Amino acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxamidines Carboximidamides Carboxylic acids Dialkyl ethers Organic oxides Hydrochlorides Carbonyl compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid - Benzylether - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Carboxylic acid salt - Amino acid - Amidine - Carboxylic acid amidine - Monocarboxylic acid or derivatives - Carboximidamide - Secondary amine - Ether - Carboxylic acid - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
External Descriptors
Not available