Compound Identification
SMILES
COC(=O)C(CCCCNC(=O)CCCN1C=C(CC2=CN=CN=C2)C(=O)N=C1SCC1=CC=C(F)C=C1)NC(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=JAMOEWBWWAITNZ-UHFFFAOYSA-N
Formula
C35H39FN6O6S
Mass
690.79
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
Benzyloxycarbonyls Pyrimidones Alkylarylthioethers Fluorobenzenes Fatty acid esters Aryl fluorides N-acyl amines Hydropyrimidines Vinylogous amides Methyl esters Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Benzyloxycarbonyl - Aryl thioether - Pyrimidone - Halobenzene - Alkylarylthioether - Fatty acid ester - Fluorobenzene - Fatty amide - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Aryl halide - Hydropyrimidine - N-acyl-amine - Pyrimidine - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Thioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Organosulfur compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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