Compound Identification
SMILES
CCOC(=O)[C@H]1C[C@H](CCN1)C1=CC(CNC(=O)C2=CC=C(Cl)S2)=C[C@H](N2CCOC2)C1=O
InChIKey
InChIKey=SEHGRKGYTFUUTN-JQHSSLGASA-N
Formula
C23H28ClN3O5S
Mass
494.0
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
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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
Piperidinecarboxylic acids Thiophene carboxamides 2-heteroaryl carboxamides 2,5-disubstituted thiophenes Aryl chlorides Oxazolidines Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Cyclic ketones Hemiaminals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Piperidinecarboxylic acid - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Piperidine - Oxazolidine - Heteroaromatic compound - Thiophene - Carboxamide group - Carboxylic acid ester - Hemiaminal - Ketone - Secondary carboxylic acid amide - Cyclic ketone - Organoheterocyclic compound - Secondary amine - Azacycle - Oxacycle - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Amine - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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