Compound Identification
SMILES
COC(=O)[C@@H]1CCCN1CC1=C(N=C2SC=CN12)C(=O)N(C)CCC1=CC=CC=C1
InChIKey
InChIKey=HDTPYRARXRYQHF-KRWDZBQOSA-N
Formula
C22H26N4O3S
Mass
426.54
Taxonomic Classification
Taxonomy Tree
-
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
-
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
Proline and derivatives Pyrrolidine carboxylic acids 2-heteroaryl carboxamides Aralkylamines Carbonylimidazoles N-substituted imidazoles N-alkylpyrrolidines Benzene and substituted derivatives Vinylogous amides Thiazoles Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - 2-heteroaryl carboxamide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Aralkylamine - Imidazole-4-carbonyl group - N-substituted imidazole - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Imidazole - Pyrrolidine - Vinylogous amide - Methyl ester - Thiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen 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