Compound Identification
SMILES
COC(=O)CN1C=NC2=CC=CC(C(=O)N3CC(CN4CCC(CC4)C4=CC=C(F)C=C4)C(C3)C3=CSC=C3)=C12
InChIKey
InChIKey=CTVYZBPSTNOOHO-UHFFFAOYSA-N
Formula
C31H33FN4O3S
Mass
560.69
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
Phenylpiperidines Benzimidazoles N-acylpyrrolidines Aralkylamines Fluorobenzenes Aryl fluorides N-substituted imidazoles Tertiary carboxylic acid amides Thiophenes Methyl esters Vinylogous amides Heteroaromatic compounds Trialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Phenylpiperidine - Benzimidazole - N-acylpyrrolidine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Piperidine - Thiophene - Tertiary carboxylic acid amide - Imidazole - Pyrrolidine - Methyl ester - Vinylogous amide - Heteroaromatic compound - Azole - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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