Compound Identification
SMILES
CCOC(=O)[C@H](CSSC[C@H](NC(=O)C1=CC(OC)=C(O)C=C1)C(=O)OCC)NC(=O)C1=CC(OC)=C(O)C=C1
InChIKey
InChIKey=AOYMBQNKMIFRNY-ROUUACIJSA-N
Formula
C26H32N2O10S2
Mass
596.67
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 Cysteine and derivatives Methoxyphenols Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Dialkyldisulfides Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Cysteine or derivatives - Methoxyphenol - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Methoxybenzene - Anisole - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Dicarboxylic acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Dialkyldisulfide - Organic disulfide - Sulfenyl compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic homomonocyclic 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