Compound Identification
SMILES
CCOC(=O)CN(CCOC1=C(OCC2CCCO2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1)CC(C)(C)O
InChIKey
InChIKey=VXOTWGOFBLDNLN-UHFFFAOYSA-N
Formula
C29H36ClFN4O6
Mass
591.08
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
Quinazolinamines Aniline and substituted anilines Phenol ethers Chlorobenzenes Fluorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Aryl chlorides Aryl fluorides Heteroaromatic compounds Oxolanes Tertiary alcohols Carboxylic acid esters Trialkylamines 1,2-aminoalcohols Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Quinazolinamine - Diazanaphthalene - Quinazoline - Aniline or substituted anilines - Phenol ether - Fluorobenzene - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Chlorobenzene - Imidolactam - Benzenoid - Aryl fluoride - Aryl halide - Pyrimidine - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Oxolane - Tertiary alcohol - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - 1,2-aminoalcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Alcohol - 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