Compound Identification
SMILES
CN1CCN(CC1)C(=O)C(CC(=O)NC1=NC=C(Br)C=C1)NC(=O)C1=CC=C(C=C1)C1=CC=CC=C1S(N)(=O)=O
InChIKey
InChIKey=XSKHIJAFGVJFOR-UHFFFAOYSA-N
Formula
C27H29BrN6O5S
Mass
629.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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 Biphenyls and derivatives Alpha amino acid amides Benzenesulfonamides Benzenesulfonyl compounds N-arylamides Benzoyl derivatives N-methylpiperazines Pyridines and derivatives Organosulfonamides Imidolactams Aryl bromides Fatty amides Aminosulfonyl compounds Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Biphenyl - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Benzoyl - N-arylamide - N-methylpiperazine - N-alkylpiperazine - Aryl bromide - Aryl halide - 1,4-diazinane - Fatty amide - Fatty acyl - Piperazine - Pyridine - Organosulfonic acid amide - Imidolactam - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Carbonyl group - Organohalogen compound - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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