Compound Identification
SMILES
CCCCOC(=O)CC1N(CCNC1=O)C(=S)NC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=KDMIIPBVGKDFBJ-UHFFFAOYSA-N
Formula
C18H22N4O6S
Mass
422.46
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
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Benzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Piperazines Thioureas Secondary carboxylic acid amides Carboxylic acid esters Lactams Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Organic nitro compound - Carboxamide group - Carboxylic acid ester - Lactam - C-nitro compound - Secondary carboxylic acid amide - Thiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic zwitterion - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available