Compound Identification
SMILES
CCOC(=O)[C@@H]1C[C@H]2C[C@@H](CN3N=NC(SCC(=O)C4=CC=CC=C4)=N3)CC[C@H]2CN1C(=O)OC
InChIKey
InChIKey=LBSNUPAEQUMHTJ-FFGOWVMKSA-N
Formula
C24H31N5O5S
Mass
501.6
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
Alkyl-phenylketones Piperidinecarboxylic acids Benzoyl derivatives Aryl alkyl ketones Alkylarylthioethers Tetrazoles Methylcarbamates Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Alkyl-phenylketone - Piperidinecarboxylic acid - Phenylketone - Aryl thioether - Benzoyl - Aryl ketone - Aryl alkyl ketone - Alkylarylthioether - Monocyclic benzene moiety - Piperidine - Benzenoid - Methylcarbamate - Azole - Tetrazole - Carbamic acid ester - Heteroaromatic compound - Ketone - Carboxylic acid ester - Thioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen 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