Compound Identification
SMILES
C[C@]1(CSC2=NN=NN2CCO)[C@@H](N2[C@H](CC2=O)S1(=O)=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=RNHVCGILBSYPCV-MPGHIAIKSA-N
Formula
C18H20N6O8S2
Mass
512.51
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Benzyloxycarbonyls Nitrobenzenes Nitroaromatic compounds Penams Alkylarylthioethers Sulfones Heteroaromatic compounds Tertiary carboxylic acid amides Tetrazoles Thiazolidines Azetidines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Alkanolamines Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 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 - Carboxamide group - Carboxylic acid ester - Lactam - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Sulfenyl compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkanolamine - Organic oxoazanium - Azacycle - Monocarboxylic acid or derivatives - Organic salt - Alcohol - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Primary alcohol - Organic zwitterion - 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