Compound Identification
SMILES
CC(NC(=O)[C@H](CCCNC(=S)NC1=CC=CC=C1)NC(=O)C1=CC=C(CNCC2=CC=CC=N2)C=C1)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=RWEWLNXKNYIKPH-JFIHQKCHSA-N
Formula
C38H40N6O2S
Mass
644.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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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 N-phenylthioureas Naphthalenes 2-pyridylmethylamines Benzoyl derivatives Benzylamines Phenylmethylamines Aralkylamines N-acyl amines Heteroaromatic compounds Thioureas Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Naphthalene - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-phenylthiourea - 2-pyridylmethylamine - Benzoyl - Phenylmethylamine - Benzylamine - Aralkylamine - N-acyl-amine - Pyridine - Fatty amide - Fatty acyl - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Thiourea - Secondary carboxylic acid amide - Organoheterocyclic compound - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Secondary amine - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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