Compound Identification
SMILES
CC1(C)S[C@@H]2[C@@H](CC=O)C(=O)N2[C@H]1C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=JSBLMVLUIULYLE-KCQAQPDRSA-N
Formula
C17H18N2O6S
Mass
378.4
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 Alpha amino acid esters
-
Level 6
Alpha amino acids and derivatives
-
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 Penams Nitroaromatic compounds Alpha-hydrogen aldehydes Thiazolidines Tertiary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Penam - Monocyclic benzene moiety - Benzenoid - Alpha-hydrogen aldehyde - Beta-lactam - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hemithioaminal - Thioether - Azacycle - Monocarboxylic acid or derivatives - Organic oxoazanium - Organoheterocyclic compound - Dialkylthioether - Organic oxygen compound - Hydrocarbon derivative - Aldehyde - Organic oxide - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Organic nitrogen 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