Compound Identification
SMILES
CC(C)(O)C1=CC(F)=C(C=C1)C1=CC(C(N)=O)=C(NC2=CC=CC(CN(CC(=O)NC3CCS(=O)(=O)C3)C(O)=O)=N2)S1
InChIKey
InChIKey=JYCQSQHEKYLVAE-UHFFFAOYSA-N
Formula
C27H30FN5O7S2
Mass
619.68
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
- 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
Phenylpropanes Thiophene carboxamides 2,3,5-trisubstituted thiophenes Aminopyridines and derivatives Fluorobenzenes N-arylated-2-aminothiophenes Aryl fluorides Imidolactams Vinylogous amides Thiolanes Tertiary alcohols Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Carbamic acids Azacyclic compounds Amines Organofluorides Aromatic alcohols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Phenylpropane - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Aminopyridine - Halobenzene - N-arylated-2-aminothiophene - Fluorobenzene - Pyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 2-aminothiophene - Benzenoid - Imidolactam - Thiophene - Tertiary alcohol - Thiolane - Sulfone - Heteroaromatic compound - Vinylogous amide - Carbamic acid - Carbamic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organohalogen compound - Aromatic alcohol - Amine - Carbonyl group - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic 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