Compound Identification
SMILES
CCOC(=O)C(N=C(SC)SC)C(O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=KUBQHHSRHWUCOR-UHFFFAOYSA-N
Formula
C14H18N2O5S2
Mass
358.43
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine 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
Phenylalanine and derivatives
Alternative Parents
Alpha amino acid esters Nitrobenzenes Nitroaromatic compounds Beta hydroxy acids and derivatives Fatty acid esters Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols Carbonyl compounds Organic salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Nitrobenzene - Nitroaromatic compound - Beta-hydroxy acid - Fatty acid ester - Monocyclic benzene moiety - Hydroxy acid - Fatty acyl - Benzenoid - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary alcohol - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Aromatic alcohol - Organonitrogen compound - Organic salt - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic zwitterion - Organosulfur compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available