Compound Identification
SMILES
CC(C)N1CC2=C(N=C(N=C2NC(C)(C)CC2=CC=C(F)C=C2)C2CNCC3N2COC3=O)C1=O
InChIKey
InChIKey=IIUIGXSGACLQOS-UHFFFAOYSA-N
Formula
C25H31FN6O3
Mass
482.56
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
-
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
Amphetamines and derivatives Phenylpropanes 2-heteroaryl carboxamides Secondary alkylarylamines Aralkylamines Aminopyrimidines and derivatives N-alkylpiperazines Fluorobenzenes Aryl fluorides Oxazolidinones Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Carboxylic acid esters Lactones Lactams Dialkylamines Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Amphetamine or derivatives - Phenylpropane - 2-heteroaryl carboxamide - Aminopyrimidine - Secondary aliphatic/aromatic amine - Halobenzene - N-alkylpiperazine - Aralkylamine - Fluorobenzene - Imidolactam - Benzenoid - 1,4-diazinane - Monocyclic benzene moiety - Oxazolidinone - Aryl halide - Aryl fluoride - Pyrimidine - Piperazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Oxazolidine - Tertiary amine - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Secondary amine - Oxacycle - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Amine - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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