Compound Identification
SMILES
CCCOC(=O)C(NCC1=CC=CC=C1)C1SC\C(=C/C=C/C(Cl)=O)C(=N1)C(O)=O
InChIKey
InChIKey=DCCUZDHHIRINEF-BEAOHLNISA-N
Formula
C21H23ClN2O5S
Mass
450.93
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
Phenylmethylamines Benzylamines Aralkylamines 1,3-thiazines Dicarboxylic acids and derivatives Amino acids Ketimines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Acyl chlorides Azacyclic compounds Dialkylthioethers Dialkylamines Carboxylic acids Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Benzylamine - Phenylmethylamine - Aralkylamine - Meta-thiazine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Ketimine - Amino acid - Carboxylic acid ester - Propargyl-type 1,3-dipolar organic compound - Thioether - Secondary amine - Organic 1,3-dipolar compound - Dialkylthioether - Organoheterocyclic compound - Azacycle - Carboxylic acid - Acyl halide - Secondary aliphatic amine - Acyl chloride - Organic nitrogen compound - Imine - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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