Compound Identification
SMILES
C[C@@H](NC(=O)C1=CC=CO1)C(=O)N1CCN(CCCOC2=CC(F)=C(C=C2)C2=NOC(=N2)C2=CC=CC=C2)CC1
InChIKey
InChIKey=SSAVQTWNFLPIDN-HXUWFJFHSA-N
Formula
C29H30FN5O5
Mass
547.587
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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides Phenyloxadiazoles 2-heteroaryl carboxamides Furoic acid and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Fluorobenzenes N-alkylpiperazines Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenyl-1,2,4-oxadiazole - 2-heteroaryl carboxamide - Furoic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - N-alkylpiperazine - Aryl fluoride - Piperazine - Aryl halide - 1,4-diazinane - Benzenoid - Monocyclic benzene moiety - Oxadiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - 1,2,4-oxadiazole - Furan - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available