Compound Identification
SMILES
OC(=O)[C@H](CCC(=O)NC(=O)C1=CC=C(O1)C1=CC=CS1)NCC1=CC=CC=C1
InChIKey
InChIKey=MCTQZUNPNSJRKK-HNNXBMFYSA-N
Formula
C21H20N2O5S
Mass
412.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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 Glutamine 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
Glutamine and derivatives
Alternative Parents
L-alpha-amino acids Phenylmethylamines Benzylamines Furoic acid and derivatives Aralkylamines N-acyl amines Thiophenes N-unsubstituted carboxylic acid imides Dicarboximides Heteroaromatic compounds Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Glutamine or derivatives - Alpha-amino acid - L-alpha-amino acid - Benzylamine - Phenylmethylamine - Furoic acid or derivatives - Aralkylamine - Monocyclic benzene moiety - N-acyl-amine - Benzenoid - Carboxylic acid imide - Dicarboximide - Furan - Carboxylic acid imide, n-unsubstituted - Thiophene - Heteroaromatic compound - Amino acid - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Secondary amine - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Amine - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available