Compound Identification
SMILES
CC(C)(C)OC(=O)COC1=C(C=CC(=C1)C(=O)NCC(=O)OCC1=CC=CC=C1)B1OC(C)(C)C(C)(C)O1
InChIKey
InChIKey=XWIMHTZXTCFHSN-UHFFFAOYSA-N
Formula
C28H36BNO8
Mass
525.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Phenoxyacetic acid derivatives Benzyloxycarbonyls Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Dicarboxylic acids and derivatives Boronic acid esters Dioxaborolanes Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Organic metalloid salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organometalloid compounds Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Phenoxyacetate - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Boronic acid ester - 1,3,2-dioxaborolane - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available