Compound Identification
SMILES
CCOC(=O)C1=C(C2=CC=C(C=C2)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N[C@@H](C(C)C)C(=O)N2C3CCC(CC3)[C@@H]2C(=O)NC(C(C)C)C(=O)C(F)(F)F)C(C(=O)OCC)=C(C)N=C1C
InChIKey
InChIKey=OHCTULZDELJOOU-LHIJAJSBSA-N
Formula
C46H54F3N5O11S
Mass
942.02
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
Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylpyridines Benzenesulfonamides Benzenesulfonyl compounds N-acylpiperidines Pyridinecarboxylic acids Piperidinecarboxamides Benzoyl derivatives Methylpyridines Tertiary carboxylic acid amides Heteroaromatic compounds Organosulfonic acids and derivatives Alpha-haloketones Aminosulfonyl compounds Secondary carboxylic acid amides Carboxylic acid esters Tertiary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Valine or derivatives - 4-phenylpyridine - Alpha-amino acid amide - Benzenesulfonamide - Alpha-amino acid or derivatives - Pyridine carboxylic acid - Benzenesulfonyl group - Pyridine carboxylic acid or derivatives - N-acyl-piperidine - 2-piperidinecarboxamide - Piperidinecarboxamide - Benzoyl - Methylpyridine - Pyridine - Piperidine - Alpha-haloketone - Heteroaromatic compound - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - Organooxygen compound - Amine - Organohalogen compound - Alkyl halide - Organosulfur compound - Aromatic heteropolycyclic 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