Compound Identification
SMILES
COC1=C(OCCC2=CC=C(Cl)C=C2)C=C(C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
InChIKey
InChIKey=OLHKFEYHIASKAN-KRWDZBQOSA-N
Formula
C22H28ClN5O4
Mass
461.95
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
N-acyl-alpha amino acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Fatty amides Secondary carboxylic acid amides Primary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Methoxybenzene - Anisole - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl halide - Aryl chloride - Fatty acyl - Fatty amide - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Ether - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - 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