Compound Identification
SMILES
C[C@]1(CSC2=NN=NN2C2=CC=CC=C2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=VOMJQRRIJDVQQG-DXIQSLLYSA-N
Formula
C22H20N6O7S2
Mass
544.56
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
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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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
Alpha amino acid esters
Alternative Parents
Phenyltetrazoles and derivatives Benzyloxycarbonyls Nitrobenzenes Penams Nitroaromatic compounds Alkylarylthioethers Thiazolidines Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Azetidines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Phenyltetrazole - Benzyloxycarbonyl - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Penam - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Beta-lactam - Heteroaromatic compound - Sulfone - Tertiary carboxylic acid amide - Tetrazole - Thiazolidine - Azetidine - Organic nitro compound - Carboxamide group - Carboxylic acid ester - Lactam - C-nitro compound - Sulfenyl compound - Thioether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available