Compound Identification
SMILES
CNCC(=O)OCCN(C(=O)OC(C)[N+]1=CN(CC(O)(C(C)C2=NC(=CS2)C2=CC=C(C=C2)C#N)C2=C(F)C=CC(F)=C2)N=C1)C(=O)C(C)(C)C
InChIKey
InChIKey=KXWWTFXBLLSLNN-UHFFFAOYSA-N
Formula
C35H40F2N7O6S
Mass
724.8
Taxonomic Classification
Taxonomy Tree
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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
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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
Phenylpropanes Benzonitriles 2,4-disubstituted thiazoles Fluorobenzenes Aryl fluorides Triazoles Tertiary alcohols Carbamate esters Dicarboximides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Dialkylamines Monocarboxylic acids and derivatives Nitriles Organic oxides Carbonyl compounds Aromatic alcohols Organofluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Phenylpropane - Benzonitrile - 2,4-disubstituted 1,3-thiazole - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Carbamic acid ester - 1,2,4-triazole - Thiazole - Tertiary alcohol - Dicarboximide - Carboxylic acid ester - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Cyanide - Amine - Organic oxygen compound - Organic cation - 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