Compound Identification
SMILES
OC(=O)C(O)=O.COC(=O)C1CSCN1C(=O)CN1CCN(CC1)C(=O)C1=CC=CO1
InChIKey
InChIKey=BZZZWICEPRKAKL-UHFFFAOYSA-N
Formula
C18H23N3O9S
Mass
457.45
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
N-piperazineacetamides 2-heteroaryl carboxamides Furoic acid and derivatives N-alkylpiperazines Dicarboxylic acids and derivatives Thiazolidines Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Trialkylamines Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Oxacyclic compounds Dialkylthioethers Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alpha-amino acid ester - N-piperazineacetamide - 2-heteroaryl carboxamide - Furoic acid or derivatives - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazolidine - Methyl ester - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Carboxylic acid ester - Hemithioaminal - Thioether - Azacycle - Organoheterocyclic compound - Dialkylthioether - Oxacycle - Carboxylic acid - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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