DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:47:19 UTC
Update Date	2025-03-21 18:01:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00032081
Frequency	114.2
Structure
Chemical Formula	C₂₀H₂₂N₄O₂
Molecular Mass	350.1743
SMILES	NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)Cc1ccccc1
InChI Key	GVIJYQOEFGLWKI-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 azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives primary carboxylic acid amides pyrroles secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group indole fatty amide alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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