Compound Identification
SMILES
OS(=O)(=O)C(F)(F)F.CCOC(=O)CNC1=NC(=NC(=C1)C(=O)NC(CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OCC)C1=CC=CC=C1
InChIKey
InChIKey=NIPOCZHMECLZJA-UHFFFAOYSA-N
Formula
C28H35F3N6O11S
Mass
720.67
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 esters Alpha amino acid amides Pyrimidinecarboxylic acids and derivatives Piperazine carboxylic acids 2-heteroaryl carboxamides Trifluoromethanesulfonates Aminopyrimidines and derivatives Benzene and substituted derivatives Dicarboxylic acids and derivatives Imidolactams Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids Carbamate esters Heteroaromatic compounds Methanesulfonates Carboxylic acid esters Trihalomethanes Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Carbonyl compounds Alkyl fluorides Organofluorides Amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Alpha-amino acid ester - 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 - Aminopyrimidine - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Pyrimidine - Benzenoid - Imidolactam - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Alkanesulfonic acid - Carbamic acid ester - Methanesulfonate - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Trihalomethane - Azacycle - Organoheterocyclic compound - Carboxylic acid - Amine - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alkyl fluoride - Organosulfur compound - Halomethane - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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