Compound Identification
SMILES
COC(=O)C(CSC1=CC=C(Cl)C=C1)N1C(=O)N2CC=CC(N2C1=O)C(=O)NCC1=C(C)N=C(N)C=C1
InChIKey
InChIKey=KRQCEDRNKDJZOG-UHFFFAOYSA-N
Formula
C24H25ClN6O5S
Mass
545.01
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 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
Triazolopyridazines Thiophenol ethers Urazoles Alkylarylthioethers Aminopyridines and derivatives Chlorobenzenes Methylpyridines Pyridazines and derivatives Aryl chlorides Imidolactams Triazoles Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Triazolopyridazine - Aryl thioether - Thiophenol ether - Aminopyridine - Chlorobenzene - Methylpyridine - Halobenzene - Urazole - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridazine - Pyridine - Benzenoid - Imidolactam - 1,2,4-triazole - Azole - Methyl ester - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Amine - 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