Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.CCCCCCCCCOC(=O)C(C)N1CCN(CCN2CCN(CC2)C2=CC=CC(=C2)C(F)(F)F)CC1
InChIKey
InChIKey=JDWIZNQUAUQUQI-WLHGVMLRSA-N
Formula
C33H51F3N4O6
Mass
656.788
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
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Phenylpiperazines N-arylpiperazines Alanine and derivatives Trifluoromethylbenzenes Aniline and substituted anilines Dialkylarylamines N-alkylpiperazines Unsaturated fatty acids Dicarboxylic acids and derivatives Trialkylamines Carboxylic acid esters Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides
Molecular Framework
Not available
Substituents
Alpha-amino acid ester - Phenylpiperazine - N-arylpiperazine - Alanine or derivatives - Trifluoromethylbenzene - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acyl - Fatty acid - Tertiary amine - Carboxylic acid ester - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Carboxylic acid - Organic oxide - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alkyl fluoride - Amine - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available