Compound Identification
SMILES
CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)C1=CC=C(NS(=O)(=O)C2=CC=CC=C2C#N)C=C1
InChIKey
InChIKey=ADSUKSQQYWNBGE-LLZJGCNPSA-N
Formula
C29H34N4O6S
Mass
566.67
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 Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Benzonitriles Benzoyl derivatives Organosulfonamides Fatty amides Furanones Aminosulfonyl compounds Oxolanes Cyclic ketones Secondary carboxylic acid amides Dialkyl ethers Oxacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Benzonitrile - Benzoyl - Fatty acyl - 3-furanone - Fatty amide - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Oxolane - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic ketone - Secondary carboxylic acid amide - Carboxamide group - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Nitrile - Carbonitrile - Cyanide - Organic oxygen compound - Carbonyl group - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen 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