Compound Identification
SMILES
CCOC(=O)C(NC(=O)CCC1=CC=C(C=C1)B(O)C1=CC=C(Cl)C=C1)C(C)C
InChIKey
InChIKey=MHIOULVZGJJNQC-UHFFFAOYSA-N
Formula
C22H27BClNO4
Mass
415.72
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
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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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Valine and derivatives Alpha amino acid esters Chlorobenzenes Fatty acid esters Aryl chlorides Fatty amides Borinic acids Secondary carboxylic acid amides Carboxylic acid esters Organic metalloid salts Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organometalloid compounds Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Borinic acid - Carboxamide group - Carboxylic acid ester - Borinic acid derivative - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organic metalloid salt - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organic metalloid moeity - Organochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available