Compound Identification
SMILES
COC1=CC(=C(C=C1)C1=CC=C(O1)C=NNC(=O)C(NC(=O)C1=CC=C(C)C=C1)C(C)C)[N+]([O-])=O
InChIKey
InChIKey=BHPKJDFTYGVZBS-UHFFFAOYSA-N
Formula
C25H26N4O6
Mass
478.505
Taxonomic Classification
Taxonomy Tree
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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
-
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
Valine and derivatives N-acyl-alpha amino acids and derivatives Nitrophenyl ethers p-Toluamides Methoxyanilines Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Heteroaromatic compounds Furans Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Valine or derivatives - Nitrophenyl ether - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Methoxyaniline - Nitrobenzene - Toluamide - P-toluamide - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Nitroaromatic compound - Anisole - Alkyl aryl ether - Toluene - Furan - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Ether - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic salt - 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