DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:50 UTC
Update Date	2025-03-25 00:54:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205449
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₉N₃O₄S
Molecular Mass	349.1096
SMILES	NC(Cc1ccccc1)C(=O)NC1C(=O)N2C(CC(=O)O)SCC12
InChI Key	XPZSGSBAFXTUPF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds azetidines benzene and substituted derivatives beta lactams carbonyl compounds carboxylic acids dialkylthioethers dipeptides fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides tertiary carboxylic acid amides thiazolidines thiohemiaminal derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group lactam carboxylic acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide aromatic heteropolycyclic compound tertiary carboxylic acid amide organonitrogen compound alpha-amino acid hemithioaminal organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid dialkylthioether carboxamide group azetidine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound thioether hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound beta-lactam organooxygen compound thiazolidine

Showing information for DMID02205449