Compound Identification
SMILES
CCCCCCCCC1=C(CC[C@H](N[C@@H](CO)C2=CC=CC=C2)C#N)C(=CC=C1)N(C)[C@@H](C(C)C)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=GFAILZCVRVMOIE-CELQPYBTSA-N
Formula
C39H53N3O3
Mass
611.871
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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
Valine and derivatives Benzyloxycarbonyls Dialkylarylamines Aniline and substituted anilines Fatty acid esters Aralkylamines Carboxylic acid esters Alpha-aminonitriles 1,2-aminoalcohols Monocarboxylic acids and derivatives Dialkylamines Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - Benzyloxycarbonyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Fatty acyl - 1,2-aminoalcohol - Carboxylic acid ester - Alpha-aminonitrile - Tertiary amine - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Alcohol - Carbonyl group - Cyanide - Organic oxygen compound - Primary alcohol - Organic oxide - Amine - Aromatic homomonocyclic 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