Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C(=O)OCC)=C(NC(=O)C2=C(Cl)C3=NC(CC(N3N2)C(F)(F)F)C2=CC=C(Br)C=C2)S1
InChIKey
InChIKey=UZDOFZOGQRUJCC-UHFFFAOYSA-N
Formula
C25H23BrClF3N4O5S
Mass
663.89
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
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Pyrazolopyrimidines Thiophene carboxylic acids and derivatives N-arylamides Bromobenzenes Aryl bromides Hydropyrimidines Imidolactams Vinylogous halides Vinylogous amides Heteroaromatic compounds Pyrazolines Pyrazoles Secondary carboxylic acid amides Amidrazones Carboxylic acid esters Vinyl chlorides Chloroalkenes Amidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organobromides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyrazolopyrimidine - Thiophene carboxylic acid or derivatives - N-arylamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Imidolactam - Benzenoid - Pyrazoline - Pyrazole - Vinylogous halide - Vinylogous amide - Thiophene - Heteroaromatic compound - Carboxylic acid amidrazone - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Amidine - Vinyl chloride - Vinyl halide - Propargyl-type 1,3-dipolar organic compound - Azacycle - Chloroalkene - Organoheterocyclic compound - Haloalkene - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Carbonyl group - Organobromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available