Compound Identification
SMILES
COC1=C(C)C(C)=C(C(C)=C1)S(=O)(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CC1=CC(=CC=C1)C(F)(F)F)C(O)C1=NC=CS1
InChIKey
InChIKey=HIGGLNICFQZYCM-AJVCAZFQSA-N
Formula
C29H37F3N6O5S2
Mass
670.77
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 Phenylalanine and derivatives
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Level 6
Alpha amino acids and derivatives
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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
-
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
Phenylalanine and derivatives
Alternative Parents
Alpha amino acid amides Trifluoromethylbenzenes Amphetamines and derivatives Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aralkylamines Fatty amides Thiazoles Aminosulfonyl compounds Organosulfonic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Guanidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Hydrocarbon derivatives Aromatic alcohols Monoalkylamines Organic oxides Organofluorides Alkyl fluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid amide - Trifluoromethylbenzene - Amphetamine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Fatty amide - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Heteroaromatic compound - Aminosulfonyl compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Azole - Organic sulfonic acid or derivatives - Secondary alcohol - Guanidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Carboximidamide - Primary amine - Primary aliphatic amine - Aromatic alcohol - Amine - Organic oxygen compound - Alkyl halide - Carbonyl group - Alkyl fluoride - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available