Compound Identification
SMILES
CC(C)CC(NC(=O)[C@H](CNC(=O)C1=CC=CC=C1[N+]([O-])=O)NC(=O)C1=CC=CC(=C1)C1=CC=CC=C1)C(=O)C1(CO)CO1
InChIKey
InChIKey=FGNLLQNYHKGSBA-GLSDHEMCSA-N
Formula
C32H34N4O8
Mass
602.644
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Biphenyls and derivatives Beta amino acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Beta-hydroxy ketones Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Epoxides Organic oxoazanium compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Biphenyl - Beta amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Beta-hydroxy ketone - Organic nitro compound - Carboxamide group - Ketone - Secondary carboxylic acid amide - C-nitro compound - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Carbonyl group - Organonitrogen compound - 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