Compound Identification
SMILES
OC(=O)C(F)(F)F.CN(C)[C@@H]1CCN(CC(=O)N2CCC(CN3C=C4C(CCC5=C4SC4=NC=NC(NC6=CC(Cl)=C(OCC7=CC(F)=CC=C7)C=C6)=C54)=N3)CC2)C1
InChIKey
InChIKey=YBPNKXMQOJWALD-LNLSOMNWSA-N
Formula
C40H43ClF4N8O4S
Mass
843.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
Thienopyrimidines N-acylpiperidines Aniline and substituted anilines Phenoxy compounds Phenol ethers Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams N-alkylpyrrolidines Alpha-halocarboxylic acids Heteroaromatic compounds Pyrazoles Tertiary carboxylic acid amides Thiophenes Trialkylamines Monocarboxylic acids and derivatives Secondary amines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
Alpha-amino acid or derivatives - N-acyl-piperidine - Thienopyrimidine - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Fluorobenzene - Chlorobenzene - N-alkylpyrrolidine - Benzenoid - Imidolactam - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Piperidine - Pyrimidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Azole - Thiophene - Tertiary carboxylic acid amide - Pyrrolidine - Pyrazole - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Carbonyl group - Organooxygen compound - Organonitrogen compound - Alkyl fluoride - Organofluoride - Organic nitrogen compound - 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