Compound Identification
SMILES
CC1=CC(F)=C(C=C1)C(=O)C1=C\C(C(=O)C=C1)=C1/C=C(NC(N)=N1)C(=O)NCCN1CCCC1
InChIKey
InChIKey=BJSDWQXWSZVPGX-ZZEZOPTASA-N
Formula
C25H26FN5O3
Mass
463.513
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
Aryl ketones Benzoyl derivatives O-quinomethanes Toluenes Fluorobenzenes Aryl fluorides N-alkylpyrrolidines Hydropyrimidines Vinylogous halides Trialkylamines Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzoyl - O-quinomethane - Quinomethane - Aryl ketone - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - N-alkylpyrrolidine - Benzenoid - Vinylogous halide - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Cyclic ketone - Ketone - Carboxamide group - Guanidine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organohalogen compound - Amine - Organofluoride - Organonitrogen 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