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	DMID02247456
Frequency	0.5
Structure
Chemical Formula	C₂₄H₂₅N₃O₅
Molecular Mass	435.1794
SMILES	O=C(O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)Cc1ccc(O)cc1
InChI Key	GRTUVZGNLUCGSM-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	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives indoles monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds phenylacetamides proline and derivatives pyrroles pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid indole n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine phenylacetamide organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound pyrrole phenol hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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