Compound Identification
SMILES
CC1(C)CN(CCOc2cc3cnc(Nc4ccc(F)c(Cl)c4)nc3cc2OC[C@@H]2CCCO2)CC(=O)O1
InChIKey
InChIKey=NUOMBMYTUBBHTO-IBGZPJMESA-N
Formula
C27H30ClFN4O5
Mass
545.01
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Quinazolinamines Phenol ethers Aniline and substituted anilines Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Chlorobenzenes Aryl fluorides Morpholines Aryl chlorides Oxolanes Heteroaromatic compounds Trialkylamines Carboxylic acid esters Lactones Dialkyl ethers Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Quinazolinamine - Quinazoline - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Fluorobenzene - Chlorobenzene - Morpholine - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Pyrimidine - Oxazinane - Heteroaromatic compound - Oxolane - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Lactone - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organofluoride - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organochloride - 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