Compound Identification
SMILES
COCCCN(CC(=O)NC1=CC(=NN1C1=CC=C(C)C=C1)C(C)(C)C)C(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=GBXQHDMLNRSWFR-UHFFFAOYSA-N
Formula
C27H33N5O5
Mass
507.591
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
Phenylpyrazoles Alpha amino acids and derivatives Nitrobenzenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Toluenes Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic zwitterions Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Phenylpyrazole - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - N-arylamide - Toluene - Azole - Heteroaromatic compound - Pyrazole - Tertiary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Carbonyl group - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - 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