Compound Identification
SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NC(=N)C1=CC(=CC=C1)N1CCCC[C@H]1C(=O)OC1=CC=C(C=C1)C(=N)N1CCCC1
InChIKey
InChIKey=KYLYXYIPLFWWIZ-FGJQBABTSA-N
Formula
C28H31F6N5O6
Mass
647.575
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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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
Phenylpiperidines Phenol esters Piperidinecarboxylic acids Phenoxy compounds Aniline and substituted anilines Dialkylarylamines Pyrrolidines Alpha-halocarboxylic acids Carboxylic acid esters Azacyclic compounds Carboxamidines Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Organofluorides Organic oxides Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alpha-amino acid ester - Phenylpiperidine - Phenol ester - Piperidinecarboxylic acid - Phenoxy compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Piperidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Pyrrolidine - Carboxylic acid ester - Tertiary amine - Amidine - Carboxylic acid amidine - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboximidamide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Carbonyl group - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Alkyl fluoride - Amine - 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