Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]1[C@@H]2N([C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S2(=O)=O)C1=O
InChIKey
InChIKey=NEQGXTDPLDHZMS-YQQAZPJKSA-N
Formula
C21H27NO10S2
Mass
517.56
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
p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Penams Acylals Organosulfonic acid esters Dicarboxylic acids and derivatives Thiazolidines Tertiary carboxylic acid amides Sulfones Azetidines Acetals Azacyclic compounds Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzenesulfonate ester - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Penam - Toluene - Acylal - Organosulfonic acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Organosulfonic acid or derivatives - Thiazolidine - Tertiary carboxylic acid amide - Beta-lactam - Organic sulfonic acid or derivatives - Sulfone - Sulfonyl - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Acetal - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen 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