DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:23:30 UTC
Update Date	2025-03-25 01:24:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02393352
Frequency	0.5
Structure
Chemical Formula	C₄₅H₆₈N₁₄O₁₃
Molecular Mass	1012.509
SMILES	CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(=O)O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)O
InChI Key	LHCHYUBWJDASTP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives asparagine and derivatives aspartic acid and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives guanidines heteroaromatic compounds hydrocarbon derivatives imidazoles isoleucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds phenylalanine and derivatives primary carboxylic acid amides proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides tyrosine and derivatives valine and derivatives
Substituents	monocyclic benzene moiety carboxylic acid alpha-amino acid or derivatives organonitrogen compound alpha-amino acid asparagine or derivatives isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives heteroaromatic compound organic 1,3-dipolar compound n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives aspartic acid or derivatives dicarboxylic acid or derivatives phenol hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide primary carboxylic acid amide fatty acyl carbonyl group aromatic heteromonocyclic compound guanidine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative propargyl-type 1,3-dipolar organic compound organic oxide imidazole tertiary carboxylic acid amide organopnictogen compound pyrrolidine amphetamine or derivatives azole proline or derivatives carboximidamide carboxamide group n-acyl-amine phenylalanine or derivatives organic oxygen compound hybrid peptide benzenoid organic nitrogen compound organooxygen compound

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