Compound Identification
SMILES
NC(=O)[C@H](NC(=O)C1=CC(=NC2=CC=NN12)C(=O)NCC1=CC2=C(OCC(=O)N2)C=C1)C1=CC=C(F)C=C1
InChIKey
InChIKey=CDUHFNGHTZRQOZ-JOCHJYFZSA-N
Formula
C25H20FN7O5
Mass
517.477
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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Benzoxazinones Benzomorpholines Phenylacetamides Pyrimidinecarboxylic acids and derivatives Pyrazolo[1,5-a]pyrimidines 2-heteroaryl carboxamides Alkyl aryl ethers Fluorobenzenes Aryl fluorides Pyrazoles Heteroaromatic compounds Primary carboxylic acid amides Lactams Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Benzoxazinone - Benzoxazine - Benzomorpholine - Phenylacetamide - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Halobenzene - Alkyl aryl ether - Fluorobenzene - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Oxazinane - Aryl halide - Pyrimidine - Heteroaromatic compound - Azole - Pyrazole - Carboxamide group - Primary carboxylic acid amide - Lactam - Secondary carboxylic acid amide - Azacycle - Oxacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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