Compound Identification
SMILES
N[C@@H](CS)C(=O)SC1CC(=O)N(CCCCCNC(=O)CNC(=O)C2=CC([125I])=CC=C2)C1=O
InChIKey
InChIKey=DTWJXEDGRFCWAL-PZMDIYBFSA-N
Formula
C21H27IN4O5S2
Mass
604.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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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 Cysteine and derivatives Alpha amino acid amides 3-halobenzoic acids and derivatives Benzoyl derivatives Iodobenzenes Aryl iodides Pyrrolidine-2-ones N-alkylpyrrolidines N-substituted carboxylic acid imides Dicarboximides Thioesters Lactams Secondary carboxylic acid amides Carbothioic S-esters Azacyclic compounds Sulfenyl compounds Alkylthiols Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Iodobenzene - Halobenzene - Aryl iodide - Carboxylic acid imide, n-substituted - Aryl halide - 2-pyrrolidone - Pyrrolidone - N-alkylpyrrolidine - Dicarboximide - Carboxylic acid imide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Carbothioic s-ester - Thiocarboxylic acid ester - Lactam - Secondary carboxylic acid amide - Alkylthiol - Azacycle - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Sulfenyl compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Amine - Organic nitrogen compound - Carbonyl group - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen 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