Compound Identification
SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1=NC2=C(C=CC=C2OCC2=C(Cl)C=CC(=C2Cl)S(=O)(=O)NC2(CCCC2)C(=O)N2CCN(CC2)C(=O)C[C@@H](N)CCC[N+](C)(C)C)C(C)=C1
InChIKey
InChIKey=IBYQNYLGRYGJSJ-LPCSYZHESA-N
Formula
C41H53Cl2F6N6O9S
Mass
990.86
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 Beta amino acids and derivatives
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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
Beta amino acids and derivatives
Alternative Parents
Benzenesulfonamides Quinolines and derivatives Alpha amino acids and derivatives Benzenesulfonyl compounds Phenol ethers Dichlorobenzenes Alkyl aryl ethers Methylpyridines Piperazines Organosulfonamides Aryl chlorides Tetraalkylammonium salts Tertiary carboxylic acid amides Alpha-halocarboxylic acids Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organofluorides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides Alkyl fluorides Organic cations
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Quinoline - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Methylpyridine - Chlorobenzene - Aryl chloride - Monocyclic benzene moiety - Pyridine - Piperazine - Benzenoid - Aryl halide - 1,4-diazinane - Organosulfonic acid amide - Alpha-halocarboxylic acid - Tetraalkylammonium salt - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Tertiary carboxylic acid amide - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Alkyl fluoride - Primary aliphatic amine - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available