Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.C[C@H](NC(=O)OC(C)(C)C)C(=O)OC1=CC=C([NH+]=C(N)N)C2=CC=CC=C12
InChIKey
InChIKey=OFRBBZZCCHOEJR-MERQFXBCSA-N
Formula
C26H32N4O7S
Mass
544.62
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 Alanine and derivatives Tosyl compounds Phenol esters Naphthalenes 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Sulfonyls Organosulfonic acids Carbamate esters Carboxylic acid esters Guanidines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboximidamides Organic zwitterions Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alpha-amino acid ester - Alanine or derivatives - P-methylbenzenesulfonate - Naphthalene - Phenol ester - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - Benzenoid - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carbamic acid ester - Organosulfonic acid - Sulfonyl - Carboxylic acid ester - Guanidine - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic zwitterion - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic 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