Compound Identification
SMILES
CC(C)CN(CCO)CCCC(NC(=O)C1=CC=C(CNCC2=NC=CN2C)C=C1)C(=O)N[C@@H](C)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=CQTUUEZFJFULNU-GFDSEFBSSA-N
Formula
C36H48N6O3
Mass
612.819
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 Alpha amino acid amides Naphthalenes Benzoyl derivatives Benzylamines Phenylmethylamines Aralkylamines N-substituted imidazoles N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines 1,2-aminoalcohols Dialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Fatty acyl - N-substituted imidazole - N-acyl-amine - Fatty amide - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Secondary amine - Organoheterocyclic compound - Alkanolamine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary alcohol - Amine - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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