Compound Identification
SMILES
COCCCN(CC(=O)N1CCC2=C(C=CS2)C1C1=CC=CC=C1C)C(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=CHUISFFROKOCCX-UHFFFAOYSA-N
Formula
C27H29ClN2O3S
Mass
497.05
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
4-halobenzoic acids and derivatives Alpha amino acids and derivatives Thienopyridines Benzoyl derivatives Toluenes Chlorobenzenes Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Thiophenes Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Thienopyridine - Benzoyl - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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