DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:37 UTC
Update Date	2025-03-25 00:51:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184420
Frequency	0.5
Structure
Chemical Formula	C₂₀H₁₉Cl₂N₃O₃
Molecular Mass	419.0803
SMILES	NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(Cl)c(Cl)c1)C(=O)O
InChI Key	BHIXUMMRRGXUKL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives aryl chlorides azacyclic compounds carbonyl compounds carboxylic acids dichlorobenzenes fatty amides heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organochlorides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids pyrroles secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid indole organochloride fatty amide alpha-amino acid or derivatives organohalogen compound organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound 1,2-dichlorobenzene organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives aryl chloride chlorobenzene alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group aryl halide alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound halobenzene organooxygen compound

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