Compound Identification
SMILES
OC(=O)[C@H](CNC(=O)CO[C@@H]1C[C@@H](CNC2=CC=CC=N2)N(C1)C(=O)OCC1=CC=CC=C1)NC(=O)C1=CC(=CC=C1)C(F)(F)F
InChIKey
InChIKey=QVAZEDUTRFMEOJ-GVAUOCQISA-N
Formula
C31H32F3N5O7
Mass
643.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
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Level 6
Hippuric acids and derivatives
- Level 7 Hippuric acids
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Level 6
Hippuric acids and derivatives
-
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 - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids Trifluoromethylbenzenes Benzyloxycarbonyls Pyrrolidine carboxylic acids Benzoyl derivatives Aminopyridines and derivatives Imidolactams Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Dialkyl ethers Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Amines Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzyloxycarbonyl - Benzoyl - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Aminopyridine - Imidolactam - Pyridine - Heteroaromatic compound - Carbamic acid ester - Pyrrolidine - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic oxide - Alkyl halide - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available