Compound Identification
SMILES
CCCCCCC1C(OC(=O)CC(C)C)C(C)OC(=O)C(NC(=O)C2=C(O)C(NC=O)=CC=C2)C(C)OC1=O
InChIKey
InChIKey=UIFFUZWRFRDZJC-UHFFFAOYSA-N
Formula
C28H40N2O9
Mass
548.633
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Salicylamides Tricarboxylic acids and derivatives Anilides Benzamides N-arylamides Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Vinylogous acids Secondary carboxylic acid amides Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Acylaminobenzoic acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Salicylamide - Salicylic acid or derivatives - Benzamide - Anilide - Tricarboxylic acid or derivatives - Benzoyl - N-arylamide - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - Phenol - Fatty acyl - Vinylogous acid - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
META CYC (CPD-5744) : a small molecule