Compound Identification
SMILES
OS(=O)(=O)C(F)(F)F.CCCCN(C)C1=NC(=NC(=C1)C(=O)NC(CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OCC)C1=CC=CC=C1
InChIKey
InChIKey=PAHSENCRIVUICP-UHFFFAOYSA-N
Formula
C29H39F3N6O9S
Mass
704.72
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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides Pyrimidinecarboxylic acids and derivatives Piperazine carboxylic acids 2-heteroaryl carboxamides Trifluoromethanesulfonates Dialkylarylamines Aminopyrimidines and derivatives Benzene and substituted derivatives Imidolactams Methanesulfonates Heteroaromatic compounds Carbamate esters Sulfonyls Tertiary carboxylic acid amides Organosulfonic acids Secondary carboxylic acid amides Trihalomethanes Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Not available
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Piperazine-1-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Trifluoromethanesulfonate - Dialkylarylamine - Aminopyrimidine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyrimidine - Imidolactam - Benzenoid - Methanesulfonate - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary carboxylic acid amide - Carbamic acid ester - Alkanesulfonic acid - Carboxamide group - Secondary carboxylic acid amide - Trihalomethane - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Organohalogen compound - Halomethane - Organofluoride - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available