Compound Identification
SMILES
CCCCC1(CC)CN(C2=CC=CC=C2)C2=CC(Br)=C(OCC(=O)NC(C(O)=O)C3=CC=CC=C3)C=C2S(=O)(=O)C1
InChIKey
InChIKey=IDFOABYRZHYIEV-UHFFFAOYSA-N
Formula
C31H35BrN2O6S
Mass
643.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Alkyldiarylamines Benzothiazepines Phenol ethers Aniline and substituted anilines Alkyl aryl ethers Aryl bromides Sulfones Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Alkyldiarylamine - Benzothiazepine - Aniline or substituted anilines - Phenol ether - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Sulfone - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available