Compound Identification
SMILES
CN(CCOC(=O)C(CS(O)(=O)=O)NC(=O)CCC1=N\C(=C/C2=C(CCC[N+](C)(C)C)C=C(N2B(F)F)C2=CC=CC=C2)C(C)=C1)CC(=O)ON1C(=O)CC(C1=O)S(O)(=O)=O
InChIKey
InChIKey=MODNSMSXGNOCBI-RRAHZORUSA-O
Formula
C37H48BF2N6O13S2
Mass
897.75
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 esters Phenylpyrroles Aralkylamines Pyrrolidine-2-ones Benzene and substituted derivatives Dicarboxylic acids and derivatives Fatty amides Alkanesulfonic acids Tetraalkylammonium salts Sulfonyls Organosulfonic acids Dicarboximides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Carboxylic acid esters Lactams Ketimines Azacyclic compounds Organic metalloid salts Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - 2-phenylpyrrole - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - Pyrrolidone - 2-pyrrolidone - Fatty acyl - Substituted pyrrole - Benzenoid - Dicarboximide - Tetraalkylammonium salt - Heteroaromatic compound - Pyrrole - Pyrrolidine - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Ketimine - Lactam - Organic metalloid salt - Azacycle - Organoheterocyclic compound - Imine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organic cation - 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