DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:04 UTC
Update Date	2025-03-25 00:57:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224598
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₇N₃O₄
Molecular Mass	373.2002
SMILES	O=C(O)C(Cc1ccccc1)NC(=O)C1CCCCN1C(=O)C1CCCN1
InChI Key	MFVKPLQSUJZGJU-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	oligopeptides
Geometric Descriptor	aromatic heteromonocyclic 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 hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpiperidines organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids piperidinecarboxamides pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid or derivatives amino acid alpha-amino acid or derivatives organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine piperidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid piperidinecarboxamide secondary amine carboxamide group secondary carboxylic acid amide n-acyl-piperidine monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid alpha-oligopeptide organic nitrogen compound pyrrolidine-2-carboxamide 2-piperidinecarboxamide organooxygen compound amine

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