Compound Identification
SMILES
CC1=C(NC(=O)CN2CCC(CC2)C2=NC3=CC=CC=C3S2)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=KTXLAKWWYGCBNA-UHFFFAOYSA-N
Formula
C21H22N4O3S
Mass
410.49
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid amides
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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
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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 amides
Alternative Parents
Anilides Benzothiazoles Nitrobenzenes Nitrotoluenes N-arylamides Nitroaromatic compounds Aralkylamines Piperidines Heteroaromatic compounds Thiazoles Trialkylamines Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - 1,3-benzothiazole - Nitrobenzene - Anilide - Nitrotoluene - Nitroaromatic compound - N-arylamide - Aralkylamine - Toluene - Monocyclic benzene moiety - Piperidine - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors
Not available