Compound Identification
SMILES
CC1(C)C(=CC2=C([O-])C(=CC3=[N+](CC(=O)NS(C)(=O)=O)C4=C(C=C(SOOO)C=C4)C3(C)C)C2=O)N(CCCCCC(=O)ON2C(=O)CCC2=O)C2=CC=CC=C12
InChIKey
InChIKey=MMTRKGWEXBUYBN-UHFFFAOYSA-N
Formula
C39H42N4O12S2
Mass
822.9
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
-
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
3-alkylindoles Pyrrolidine-2-ones Benzenoids Vinylogous acids Aminosulfonyl compounds Organosulfonic acids and derivatives Dicarboximides Tertiary amines Cyclic ketones Lactams Azacyclic compounds Enamines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic zwitterions Organic oxides Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - 3-alkylindole - Indole or derivatives - Pyrrolidone - 2-pyrrolidone - Benzenoid - Dicarboximide - Aminosulfonyl compound - Sulfonyl - Pyrrolidine - Vinylogous acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Cyclic ketone - Lactam - Ketone - Tertiary amine - Enamine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available