Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C(C)SC2=CC=CC(NC(=O)C(\NC(=O)C3=CC=CC=C3)=C\C3=CC=C(OCC4=CC=CC=C4)C=C3)=C2)SC2=C1CCN(C2)C(C)=O
InChIKey
InChIKey=QKPVZVUXKIPWJR-PNEAAFPUSA-N
Formula
C44H42N4O7S2
Mass
802.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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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
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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 Cinnamic acid amides Anilides Thienopyridines Thiophenol ethers Benzoyl derivatives Thiophene carboxylic acids and derivatives N-arylamides Phenol ethers Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers Tertiary carboxylic acid amides Heteroaromatic compounds Vinylogous amides Acetamides Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Thienopyridine - Anilide - Phenoxy compound - N-arylamide - Benzoyl - Thiophenol ether - Thiophene carboxylic acid or derivatives - Aryl thioether - Phenol ether - Alkylarylthioether - Alkyl aryl ether - Heteroaromatic compound - Acetamide - Vinylogous amide - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ether - Thioether - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur 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