DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:49:09 UTC
Update Date	2025-03-21 18:02:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00036538
Frequency	96.8
Structure
Chemical Formula	C₁₂H₁₆N₂O₃
Molecular Mass	236.1161
SMILES	CN(CC(=O)O)C(=O)C(N)Cc1ccccc1
InChI Key	GXPXVNNQIQAOBT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	peptoid-peptide hybrids
Direct Parent	peptoid-peptide hybrids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dipeptides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives peptoid/peptide hybrid alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group aromatic homomonocyclic compound alpha-dipeptide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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