Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C(SC2=CC=CC(NC(=O)C(\NC(=O)C3=CC=CC=C3)=C\C3=CNC4=CC=CC=C34)=C2)C2=CC=CC=C2)SC2=C1CCCCCC2
InChIKey
InChIKey=GHEYMIQVTWHJHW-UOZKZNBHSA-N
Formula
C45H42N4O5S2
Mass
782.97
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides Anilides Indoles Thiophenol ethers Thiophene carboxylic acids and derivatives Benzoyl derivatives N-arylamides Alkylarylthioethers Substituted pyrroles Heteroaromatic compounds Vinylogous amides Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Indole or derivatives - Anilide - Indole - Aryl thioether - Benzoyl - Thiophene carboxylic acid or derivatives - Thiophenol ether - N-arylamide - Alkylarylthioether - Substituted pyrrole - Vinylogous amide - Thiophene - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organosulfur compound - Organonitrogen compound - Organooxygen compound - 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