Compound Identification
SMILES
CCC(SC1=CC=CC(NC(=O)C(\NC(=O)C2=CC=CC=C2)=C/C2=C(OC)C=C(O)C=C2)=C1)C(=O)NC1=C(C#N)C2=C(CN(CC3=CC=CC=C3)CC2)S1
InChIKey
InChIKey=ZUCSLYLHQMKCAP-XICOUIIWSA-N
Formula
C42H39N5O5S2
Mass
757.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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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 Cinnamic acid amides Hydroxycinnamic acids and derivatives Methoxyphenols Anilides Thienopyridines Thiophenol ethers Anisoles Benzoyl derivatives Benzylamines Methoxybenzenes Phenylmethylamines N-arylamides Phenoxy compounds Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Fatty amides Heteroaromatic compounds Thiophenes Trialkylamines Secondary carboxylic acid amides Sulfenyl compounds Nitriles 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 - Hydroxycinnamic acid or derivatives - Cinnamic acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Methoxyphenol - Thienopyridine - Anilide - Methoxybenzene - Thiophenol ether - Benzylamine - Benzoyl - Anisole - Phenol ether - N-arylamide - Phenylmethylamine - Phenoxy compound - Aryl thioether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Alkylarylthioether - Phenol - Fatty amide - Fatty acyl - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Thioether - Carboxylic acid derivative - Nitrile - Ether - Carbonitrile - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Cyanide - Organic nitrogen 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