Compound Identification
SMILES
CC1=C(C=C(NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=YJXSQPFGAAYQHG-UHFFFAOYSA-N
Formula
C16H13N3O6S
Mass
375.36
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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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
Anilides Benzothiazoles Nitrotoluenes Nitrobenzenes Nitroaromatic compounds N-arylamides Organosulfonic acids and derivatives Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - 1,2-benzothiazole - Nitrotoluene - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Toluene - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic 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