Compound Identification
SMILES
CC(C)[C@H](N[C@@H]1N(CC2=CC3=C(OCO3)C=C2[N+]([O-])=O)S(=O)(=O)NC1=O)C(O)=O
InChIKey
InChIKey=BILRBVFNQYVWCJ-QWHCGFSZSA-N
Formula
C15H18N4O9S
Mass
430.39
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 Valine 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
Valine and derivatives
Alternative Parents
L-alpha-amino acids Benzodioxoles Nitroaromatic compounds Benzenoids Thiadiazolidines Organic sulfuric acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Azacyclic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - L-alpha-amino acid - Benzodioxole - Nitroaromatic compound - Benzenoid - Organic sulfuric acid or derivatives - Thiadiazolidine - C-nitro compound - Organic nitro compound - Acetal - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Azacycle - Organooxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic salt - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available