Compound Identification
SMILES
COC1OC2COC(OC2C(O)C1N(CC(=O)NCC(C)=O)C(=O)C1=CC=C(Br)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=RBDCRBQKFHIFFD-UHFFFAOYSA-N
Formula
C26H29BrN2O8
Mass
577.428
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
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
Pyranodioxins Alpha amino acids and derivatives 4-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Oxanes Monosaccharides Aryl bromides 1,3-dioxanes Tertiary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Ketones Oxacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Pyranodioxin - Alpha-amino acid or derivatives - Benzoyl - Halobenzene - Bromobenzene - Oxane - Monosaccharide - Aryl halide - Aryl bromide - Meta-dioxane - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Alcohol - Aromatic heteropolycyclic 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