Compound Identification
SMILES
[K].CC1(C)\C(=C/C2=C(O)/C(=C/C3=[N+](CC(=O)NS(C)(=O)=O)C4=C(C=C(C=C4)S(O)(=O)=O)C3(C)C)/C2=O)N(CCCCCC(=O)ON2C(=O)CCC2=O)C2=C1C=C(C=C2)S(O)(=O)=O
InChIKey
InChIKey=YSCAPGNPYMGDBU-UHFFFAOYSA-O
Formula
C39H43KN4O15S3
Mass
943.06
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
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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 1-sulfo,2-unsubstituted aromatic compounds Tertiary alkylarylamines Pyrrolidine-2-ones Benzenoids Vinylogous acids Organosulfonic acids Aminosulfonyl compounds Dicarboximides Lactams Cyclic ketones Organic alkali metal salts Monocarboxylic acids and derivatives Enols Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - 3-alkylindole - Arylsulfonic acid or derivatives - Indole or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Pyrrolidone - 2-pyrrolidone - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous acid - Aminosulfonyl compound - Pyrrolidine - Organosulfonic acid - Dicarboximide - Sulfonyl - Ketone - Lactam - Cyclic ketone - Tertiary amine - Organic alkali metal salt - Azacycle - Organoheterocyclic compound - Enamine - Enol - Monocarboxylic acid or derivatives - Organic oxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic cation - 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