Compound Identification
SMILES
CC1(CSC2=NN=NN2C2=CC=C(Cl)C=C2)SC2CC(=O)N2C1C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=AORMIRDFECWPRM-UHFFFAOYSA-N
Formula
C22H19ClN6O5S2
Mass
547.0
Taxonomic Classification
Taxonomy Tree
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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 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 Chlorobenzenes Aryl chlorides Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylthioethers Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Thiohemiaminal derivatives Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organochlorides Organonitrogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Phenyltetrazole - Benzyloxycarbonyl - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Penam - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Beta-lactam - Thiazolidine - Tetrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Organic nitro compound - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - C-nitro compound - Azacycle - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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