DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:08 UTC
Update Date	2025-03-25 01:01:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02247453
Frequency	0.5
Structure
Chemical Formula	C₂₅H₂₇N₃O₅
Molecular Mass	449.1951
SMILES	O=C(O)C(Cc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)O
InChI Key	WLJOAYXADFLUNK-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 amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives indoles n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrroles pyrrolidine carboxylic acids tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid or derivatives amino acid indole n-acylpyrrolidine alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound pyrrolidine carboxylic acid tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives secondary amine carboxamide group alpha-dipeptide pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound pyrrole dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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