Compound Identification
SMILES
OC(=O)C(F)(F)F.CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)[C@H](CS(=O)(=O)C2=CC=C(SC)C=C2)C1
InChIKey
InChIKey=VPBIQLLLSHHQJM-TVDJKJQESA-N
Formula
C30H37F6N3O6S2
Mass
713.75
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 Trifluoromethylbenzenes Benzenesulfonyl compounds Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Cyclohexylamines Sulfones Alpha-halocarboxylic acids Trialkylamines Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Alkyl fluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Not available
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzenesulfonyl group - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Cyclohexylamine - Sulfonyl - Sulfone - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Thioether - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alkyl halide - Organohalogen compound - Amine - Organofluoride - Organonitrogen compound - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - Organooxygen 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