Compound Identification
SMILES
COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CN(CC(=O)NCCC1=CC=C(F)C=C1)C(=O)C1=CC(=CC=C1)C(=O)N(CC(=O)NCCC1=CC=C(F)C=C1)CC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC
InChIKey
InChIKey=NLOLASBEECNHGT-CXNSMIOJSA-N
Formula
C56H76F2N8O14
Mass
1123.263
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Benzoyl derivatives Fluorobenzenes Fatty acid esters Aryl fluorides Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Methyl esters Carbamate esters Secondary carboxylic acid amides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzoyl - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Fatty acyl - Dicarboxylic acid or derivatives - Methyl ester - Carbamic acid ester - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen 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