Compound Identification
SMILES
NC(=O)[C@@H](CCCCNC1=NC(=CS1)C1=CC=C(C=C1)[N+]([O-])=O)NC(=O)C1=CC=CC=N1
InChIKey
InChIKey=DOSQIWZIWRDZGC-MRXNPFEDSA-N
Formula
C21H22N6O4S
Mass
454.51
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
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Pyridinecarboxylic acids and derivatives Nitrobenzenes 2-heteroaryl carboxamides Nitroaromatic compounds 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Organic zwitterions Amines Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Nitrobenzene - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Fatty amide - Pyridine - 1,3-thiazol-2-amine - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - C-nitro compound - Primary carboxylic acid amide - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available