Compound Identification
SMILES
OC(=O)C(F)(F)F.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)CCCN)C(C)=C1
InChIKey
InChIKey=OKIIGMFFLGCPBS-VRMKZKMYSA-N
Formula
C40H47Cl2F9N6O11S
Mass
1061.79
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
Quinolines and derivatives Alpha amino acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Phenol ethers Dichlorobenzenes Alkyl aryl ethers Methylpyridines Piperazines Organosulfonamides Aryl chlorides Tertiary carboxylic acid amides Alpha-halocarboxylic acids Aminosulfonyl compounds Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Alkyl fluorides Monoalkylamines Organofluorides Organic oxides Hydrocarbon derivatives Organochlorides Carbonyl compounds
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Alpha-amino acid or derivatives - Quinoline - Benzenesulfonamide - Benzenesulfonyl group - Phenol ether - 1,3-dichlorobenzene - Alkyl aryl ether - Methylpyridine - Halobenzene - Chlorobenzene - 1,4-diazinane - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Pyridine - Piperazine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid - Primary amine - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Carbonyl group - Amine - Primary aliphatic amine - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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