DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:31 UTC
Update Date	2025-03-25 00:47:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161322
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁N₃O₄S
Molecular Mass	339.1253
SMILES	NC(Cc1ccccc1)C(=O)NC(CS)C(=O)NCCC(=O)O
InChI Key	SEELBTTUXJGIJO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkylthiols alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids cysteine and derivatives dipeptides fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds organosulfur compounds phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group beta amino acid or derivatives n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound cysteine or derivatives hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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