DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:49 UTC
Update Date	2025-03-25 00:48:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168894
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₄N₂O₆
Molecular Mass	352.1634
SMILES	CC(C)CC(C(=O)O)N(CC(=O)O)C(=O)C(N)Cc1ccc(O)cc1
InChI Key	ZIQJHQGFGPCLEA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	peptoid-peptide hybrids
Direct Parent	peptoid-peptide hybrids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dipeptides hydrocarbon derivatives leucine and derivatives monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives tertiary carboxylic acid amides tyrosine and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative organic oxide leucine or derivatives tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives peptoid/peptide hybrid tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group aromatic homomonocyclic compound alpha-dipeptide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02168894