Compound Identification
SMILES
CCCC(NC(=O)C1=CC=C(C=C1)C1=CN=CO1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C1=CC=CC=[N+]1[O-]
InChIKey
InChIKey=ORGVZCMQBUVJGQ-UHFFFAOYSA-N
Formula
C26H27N5O7S
Mass
553.59
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 Phenyl-1,3-oxazoles Pyridinesulfonamides Benzoyl derivatives N-acylpyrrolidines Pyrrolidine-3-ones Pyridinium derivatives Organosulfonamides Tertiary carboxylic acid amides Sulfonyls Heteroaromatic compounds Secondary carboxylic acid amides Ketones Azacyclic compounds Oxacyclic compounds Organic salts Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenyl-1,3-oxazole - Alpha-amino acid or derivatives - Pyridine-2-sulfonamide - Benzoyl - N-acylpyrrolidine - Pyridinium - Pyrrolidone - 3-pyrrolidone - Pyridine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Oxazole - Heteroaromatic compound - Pyrrolidine - Azole - Carboxamide group - Ketone - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic salt - Organic cation - 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