Compound Identification
SMILES
CCOC(=O)CN1N=C(N2C=NC(C)=C2C1=O)S(=O)C(Cl)C1=CC=CC=C1
InChIKey
InChIKey=YLEMWAZYLPKYIB-UHFFFAOYSA-N
Formula
C17H17ClN4O4S
Mass
408.86
Taxonomic Classification
Taxonomy Tree
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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
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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
Benzyl sulfoxides 1,2,4-triazines N-substituted imidazoles Heteroaromatic compounds Sulfoxides Lactams Carboxylic acid esters Sulfinyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Alkyl chlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzyl sulfoxide - Monocyclic benzene moiety - N-substituted imidazole - 1,2,4-triazine - Triazine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid ester - Lactam - Sulfoxide - Sulfinyl compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl chloride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen 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