Compound Identification
SMILES
COC(=O)C(NC(=S)N1CCC2(C1)CCN(CC2)C(=O)CC1=CC(OC)=CC=C1)C(C)C
InChIKey
InChIKey=JAOQGCWLZIXIGT-UHFFFAOYSA-N
Formula
C24H35N3O4S
Mass
461.62
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
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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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 esters
Alternative Parents
Valine and derivatives Phenylacetamides Azaspirodecane derivatives N-acylpiperidines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fatty acid esters Tertiary carboxylic acid amides Pyrrolidines Methyl esters Thioureas Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - Azaspirodecane - Phenylacetamide - N-acyl-piperidine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Piperidine - Benzenoid - Pyrrolidine - Methyl ester - Tertiary carboxylic acid amide - Thiourea - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Ether - Organic oxide - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available