Compound Identification
SMILES
OC(=O)[C@H](CC(=O)OCC1=CC=CC=C1)NSC1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=KSMSAENDQCQHMQ-ZDUSSCGKSA-N
Formula
C17H16N2O6S
Mass
376.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Aspartic acid 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
Aspartic acid and derivatives
Alternative Parents
Benzyloxycarbonyls Nitrobenzenes Nitroaromatic compounds Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxoazanium compounds Organosulfenic acid amides Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Carboxylic acids Organic salts Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aspartic acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organosulfenic acid amide - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available