DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:37 UTC
Update Date	2025-03-25 00:51:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186762
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₀N₄O₆S
Molecular Mass	490.1886
SMILES	Nc1ccc(S(=O)(=O)N(CC(=O)O)CC(O)C(Cc2ccccc2)NC(=O)C2CCCN2)cc1
InChI Key	WRFZOSLOFYZOHX-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	proline and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids aminosulfonyl compounds amphetamines and derivatives azacyclic compounds benzenesulfonamides benzenesulfonyl compounds carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds organosulfonamides phenylbutylamines primary amines pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid organosulfur compound organosulfonic acid amide organic oxide phenylbutylamine organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives benzenesulfonyl group proline or derivatives alcohol secondary aliphatic amine benzenesulfonamide alpha-amino acid amide azacycle aminosulfonyl compound secondary amine carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives sulfonyl pyrrolidine carboxylic acid or derivatives organic oxygen compound organic sulfonic acid or derivatives secondary alcohol hydrocarbon derivative benzenoid primary amine organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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