DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:45 UTC
Update Date	2025-03-25 00:49:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02175610
Frequency	0.5
Structure
Chemical Formula	C₃₆H₄₄N₆O₅
Molecular Mass	640.3373
SMILES	CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(N)CNC1=O
InChI Key	BKJBNNOVXCALHB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids and derivatives cyclic peptides hydrocarbon derivatives lactams macrolactams monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound alpha-amino acid or derivatives carboxylic acid derivative macrolactam organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound polypeptide azacycle carboxamide group beta amino acid or derivatives secondary carboxylic acid amide organic oxygen compound cyclic alpha peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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