Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.CC(C)(C(CCC1=CC=CC=C1)NC(=O)C1=CC=C(C=C1)C(N)=[NH2+])C(=O)N1CCC(CC(O)=O)CC1
InChIKey
InChIKey=BUGBGWDMRVVBBB-UHFFFAOYSA-N
Formula
C30H37F3N4O6
Mass
606.643
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 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Benzamides N-acylpiperidines Benzoyl derivatives Tertiary carboxylic acid amides Alpha-halocarboxylic acids Secondary carboxylic acid amides Carboxylic acid salts Azacyclic compounds Carboxamidines Carboximidamides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organofluorides Alkyl fluorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Benzoyl - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary carboxylic acid amide - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Carboximidamide - Organoheterocyclic compound - Amidine - Azacycle - Carboxylic acid amidine - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organofluoride - Alkyl halide - Organic oxygen compound - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available