Compound Identification
SMILES
COC1=C(OC)C=C(CC(NC(C)=O)C(=O)N2CCCN(CC3=NC=CN3CC3=CC=CC=C3)CC2)C=C1
InChIKey
InChIKey=KMXLCBMUTXKZBU-UHFFFAOYSA-N
Formula
C29H37N5O4
Mass
519.646
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides Amphetamines and derivatives Dimethoxybenzenes Phenoxy compounds Anisoles Aralkylamines 1,4-diazepanes Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Acetamides Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 1,4-diazepane - Alkyl aryl ether - Aralkylamine - Diazepane - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Acetamide - Azole - Imidazole - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Ether - Organoheterocyclic compound - Azacycle - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available