Compound Identification
SMILES
CCCC(CCC)S(=O)(=O)CC(NC(=O)C1=CC=CC=C1C)C(=O)N[C@@H](CC1=CC(F)=CC(F)=C1)[C@H](O)CNCC1=CC=CC(CC)=C1
InChIKey
InChIKey=VCZZEMKHLLGOGU-ATARTQIPSA-N
Formula
C37H49F2N3O5S
Mass
685.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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 Phenylbutylamines Amphetamines and derivatives o-Toluamides Benzoyl derivatives Benzylamines Phenylmethylamines Fluorobenzenes Aralkylamines Aryl fluorides Sulfones Secondary alcohols 1,2-aminoalcohols Secondary carboxylic acid amides Dialkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylbutylamine - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - O-toluamide - Toluamide - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Toluene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Sulfonyl - Sulfone - Amino acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organooxygen compound - Organosulfur compound - Alcohol - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Aromatic homomonocyclic 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