Compound Identification
SMILES
COC(=O)CC(N1CCC(CC1)NC1=NC(=CS1)C1=CC=C(C=C1)C(N)=N)C(=O)OC
InChIKey
InChIKey=QXYIBQANABNMAH-UHFFFAOYSA-N
Formula
C21H27N5O4S
Mass
445.54
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Aspartic acid and derivatives
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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
Aspartic acid and derivatives
Alternative Parents
Alpha amino acid esters 2,4-disubstituted thiazoles Fatty acid methyl esters 2-amino-1,3-thiazoles Piperidines Benzene and substituted derivatives Dicarboxylic acids and derivatives Heteroaromatic compounds Methyl esters Trialkylamines Azacyclic compounds Carboximidamides Carboxamidines Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aspartic acid or derivatives - Alpha-amino acid ester - 2,4-disubstituted 1,3-thiazole - Fatty acid ester - Fatty acid methyl ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - 1,3-thiazol-2-amine - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Methyl ester - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Amidine - Azacycle - Organoheterocyclic compound - Carboximidamide - Carboxylic acid amidine - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available