Compound Identification
SMILES
CCOC(=O)C(CSC(=O)C1=CC=C(CO[NH+](O)[O-])C=C1)NC(=O)C1=CC=CC=C1
InChIKey
InChIKey=YTDDYAFOLJGSRI-UHFFFAOYSA-N
Formula
C20H22N2O7S
Mass
434.46
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 esters Cysteine and derivatives Thiobenzoic acids and derivatives Benzoyl derivatives Fatty acyl thioesters N-acyl amines Thioesters Carboxylic acid esters Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid ester - Cysteine or derivatives - Alpha-amino acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Fatty acyl thioester - N-acyl-amine - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxylic acid ester - Carboxamide group - Sulfenyl compound - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - 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