Compound Identification
SMILES
COC(=O)[C@@]1(CC2=CC=C(F)C=C2)[C@@H]2[C@H](CN1C(=O)C1=CC=CC=C1)CC1=C2C=C(N1CCSCCO)C(=O)N1CCCC1
InChIKey
InChIKey=PGXVRRDBAHQTIS-SNLOLGNNSA-N
Formula
C34H38FN3O5S
Mass
619.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Alpha amino acid esters Amphetamines and derivatives Benzamides Benzoyl derivatives N-acylpyrrolidines 2-heteroaryl carboxamides Pyrrole carboxamides Pyrrolidine carboxylic acids Fatty acid esters Fluorobenzenes Aryl fluorides Substituted pyrroles Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Alpha-amino acid ester - Amphetamine or derivatives - Benzoic acid or derivatives - Benzamide - N-acylpyrrolidine - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Benzoyl - Halobenzene - Fatty acid ester - Fluorobenzene - Substituted pyrrole - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Fatty acyl - Aryl halide - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Methyl ester - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Primary alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available