Compound Identification
SMILES
O=C(OCC1=C(COC(=O)C(CSC2=CC=CC=C2)NC(=O)C2=CC=CC=C2)N=C(O1)C1=CC=CC=C1)C(CSCC1=CC=CC=C1)NC(=O)C1=CC=CC=C1
InChIKey
InChIKey=CUAINUCSYKFNGC-UHFFFAOYSA-N
Formula
C44H39N3O7S2
Mass
785.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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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
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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 Cysteine and derivatives Phenyl-1,3-oxazoles Thiophenol ethers 2,4,5-trisubstituted oxazoles Benzoyl derivatives Alkylarylthioethers Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid ester - Cysteine or derivatives - Phenyl-1,3-oxazole - Alpha-amino acid or derivatives - Benzoyl - Aryl thioether - 2,4,5-trisubstituted 1,3-oxazole - Thiophenol ether - Alkylarylthioether - Dicarboxylic acid or derivatives - Azole - Heteroaromatic compound - Oxazole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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