Compound Identification
SMILES
N[C@@H](CS)C(=O)SC1CC(=O)N(COC(=O)CNC(=O)C2=CC([125I])=CC=C2)C1=O
InChIKey
InChIKey=WJLCKNZHDFDPMU-UFBHKYSUSA-N
Formula
C17H18IN3O6S2
Mass
549.37
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 esters Cysteine and derivatives 3-halobenzoic acids and derivatives Benzoyl derivatives Iodobenzenes N-substituted carboxylic acid imides N-alkylpyrrolidines Aryl iodides Pyrrolidine-2-ones Dicarboximides Secondary carboxylic acid amides Lactams Thioesters Carboxylic acid esters Carbothioic S-esters Alkylthiols Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Cysteine or derivatives - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Iodobenzene - N-alkylpyrrolidine - Aryl iodide - Aryl halide - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide - Pyrrolidine - Dicarboximide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Carbothioic s-ester - Thiocarboxylic acid ester - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Alkylthiol - Monocarboxylic acid or derivatives - Thiocarboxylic acid or derivatives - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Primary amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organoiodide - Primary aliphatic amine - Organohalogen compound - Organopnictogen 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