Compound Identification
SMILES
COC1=C(OCCN(C)CCOC(=O)C(CS(O)(=O)=O)NC(=O)CCCOC2=CC=C(\C=C\C3=CC(C)=C(N3)\C=C3/N(B(F)F)\C(\C=C3CCC[N+](C)(C)C)=C3\C=CC=N3)C=C2)C=C(C(=C1)C(C)OC(=O)ON1C(=O)CC(C1=O)S(O)(=O)=O)[N+]([O-])=O
InChIKey
InChIKey=IMWOMJSGXWVSFU-SAPNQHFASA-O
Formula
C54H66BF2N8O19S2
Mass
1244.09
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Alpha amino acid esters Dipyrrins Nitrophenyl ethers Benzyloxycarbonyls Methoxyanilines Methoxybenzenes Nitroaromatic compounds Styrenes Anisoles Phenoxy compounds Aralkylamines Alkyl aryl ethers N-acyl amines Pyrrolidine-2-ones Heteroaromatic compounds Dicarboximides Sulfonyls Alkanesulfonic acids Organosulfonic acids Tetraalkylammonium salts Secondary carboxylic acid amides Carboxylic acid esters Organic carbonic acids and derivatives Trialkylamines Lactams Organic oxoazanium compounds Organic metalloid salts Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Imines Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Nitrophenyl ether - Dipyrrin - Benzyloxycarbonyl - Nitrobenzene - Methoxyaniline - Styrene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Anisole - Aralkylamine - Alkyl aryl ether - 2-pyrrolidone - Fatty acyl - Pyrrolidone - Benzenoid - N-acyl-amine - Fatty amide - Substituted pyrrole - Monocyclic benzene moiety - Tetraalkylammonium salt - Dicarboximide - Heteroaromatic compound - Pyrrole - Pyrrolidine - Alkanesulfonic acid - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboxylic acid ester - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Secondary carboxylic acid amide - Carbonic acid derivative - C-nitro compound - Organic nitro compound - Lactam - Organic oxoazanium - Organoheterocyclic compound - Organic metalloid salt - Monocarboxylic acid or derivatives - Ether - Azacycle - Organic oxygen compound - Organic oxide - Imine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic salt - 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