Compound Identification
SMILES
COC(=O)CNC(=O)C1=C(C)C2=C(N=CN=C2S1)N1CCN(CC1)C1=CC=CC=C1OC
InChIKey
InChIKey=RRMQGEUWLFCDPI-UHFFFAOYSA-N
Formula
C22H25N5O4S
Mass
455.53
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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 esters Phenylpiperazines N-arylpiperazines Thienopyrimidines Aminophenyl ethers Methoxyanilines 2-heteroaryl carboxamides Thiophene carboxamides Anisoles Dialkylarylamines Phenoxy compounds Methoxybenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Phenylpiperazine - N-arylpiperazine - Thienopyrimidine - Aminophenyl ether - Methoxyaniline - 2-heteroaryl carboxamide - Phenol ether - Tertiary aliphatic/aromatic amine - Phenoxy compound - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Dialkylarylamine - Aniline or substituted anilines - Anisole - Methoxybenzene - Aminopyrimidine - Alkyl aryl ether - Benzenoid - Imidolactam - 1,4-diazinane - Piperazine - Pyrimidine - Monocyclic benzene moiety - Methyl ester - Thiophene - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Tertiary amine - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic 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