Compound Identification
SMILES
COC1=CC([C@@H]2CCC[NH+]2CC(=O)NC2=C(C#N)C3=C(CCC3)S2)=C(OC)C=C1
InChIKey
InChIKey=UKWZMXFXOAMVDP-SFHVURJKSA-O
Formula
C22H26N3O3S
Mass
412.53
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid amides
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
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
Alpha amino acid amides
Alternative Parents
Phenylpyrrolidines Dimethoxybenzenes Anisoles Phenoxy compounds N-arylamides Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Thiophenes Quaternary ammonium salts Heteroaromatic compounds Pyrroles Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - 2-phenylpyrrolidine - Dimethoxybenzene - P-dimethoxybenzene - N-arylamide - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Quaternary ammonium salt - Pyrrole - Thiophene - Heteroaromatic compound - Pyrrolidine - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Azacycle - Nitrile - Carbonitrile - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Cyanide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors
Not available