Compound Identification
SMILES
[O-][N+](=O)C1=C(C=CC(Cl)=C1)C1=CC=C(O1)C(=O)NC1(CCNCC1)C(=O)NCCC1=CNC2=C1C=C(F)C=C2
InChIKey
InChIKey=CNUAVYKCUYKNAJ-UHFFFAOYSA-N
Formula
C27H25ClFN5O5
Mass
553.98
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
-
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
N-acyl-alpha amino acids and derivatives
Alternative Parents
3-alkylindoles Piperidinecarboxamides Nitrobenzenes 2-heteroaryl carboxamides Furoic acid and derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Aryl fluorides Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxoazanium compounds Dialkylamines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic zwitterions Organochlorides Carbonyl compounds Organic salts Organic oxides Hydrocarbon derivatives Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Nitrobenzene - Piperidinecarboxamide - 2-heteroaryl carboxamide - Furoic acid or derivatives - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Substituted pyrrole - Benzenoid - Furan - Heteroaromatic compound - Pyrrole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Oxacycle - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organofluoride - Amine - Organonitrogen 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