Compound Identification
SMILES
COC(=O)[C@@H]1S[C@H](N([C@H]1C1=CC=CC=C1)C(=O)CN)C(=O)OC(C)(C)C
InChIKey
InChIKey=XOTBNRRFUVKEKV-ZNMIVQPWSA-N
Formula
C18H24N2O5S
Mass
380.46
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
Alpha amino acid amides Dicarboxylic acids and derivatives Benzene and substituted derivatives Thiazolidines Tertiary carboxylic acid amides Methyl esters Thiohemiaminal derivatives Dialkylthioethers Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Alpha-amino acid amide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Methyl ester - Carboxamide group - Carboxylic acid ester - Thioether - Organoheterocyclic compound - Azacycle - Hemithioaminal - Dialkylthioether - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Amine - 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