Compound Identification
SMILES
BrC1=CC(C=NNC(=O)CNC(=O)C2=CC=CC=N2)=C(OC(=O)C=CC2=CC=CO2)C=C1
InChIKey
InChIKey=ZJWUVLWLZMMIPL-UHFFFAOYSA-N
Formula
C22H17BrN4O5
Mass
497.305
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
Phenol esters Pyridinecarboxylic acids and derivatives Phenoxy compounds 2-heteroaryl carboxamides Bromobenzenes Fatty acid esters Aryl bromides Enoate esters Furans Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organobromides Carbonyl compounds Organonitrogen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Phenol ester - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Phenoxy compound - Bromobenzene - Fatty acid ester - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyridine - Furan - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Carbonyl group - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic 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