Compound Identification
SMILES
CCO[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)C1(CCCC1)NC(=O)C1=CC=C(C=C1)N1CCN(CC1)C(C)C
InChIKey
InChIKey=IVLNDWWCIIEHDJ-ISJGIBHGSA-N
Formula
C28H40N4O5
Mass
512.651
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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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
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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 N-arylpiperazines Phenylpiperazines Aminobenzamides Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Furopyrroles N-acylpyrrolidines N-alkylpiperazines Furanones Tertiary carboxylic acid amides Oxolanes Ketones Trialkylamines Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Furopyrrole - N-acylpyrrolidine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - Piperazine - 1,4-diazinane - 3-furanone - Tertiary carboxylic acid amide - Oxolane - Pyrrolidine - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Ketone - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Organoheterocyclic compound - Ether - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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