Compound Identification
SMILES
OC(=O)C(F)(F)F.NC(=N)C1=CC=C(C=C1)C1=NOC(CC(=O)N[C@H](CCC2=CC=CC=N2)CC(O)=O)C1
InChIKey
InChIKey=SSPFWOLASHZJEW-XRVQSCEISA-N
Formula
C24H26F3N5O6
Mass
537.496
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Medium-chain fatty acids Amino fatty acids Heterocyclic fatty acids Pyridines and derivatives Benzene and substituted derivatives Alpha-halocarboxylic acids Isoxazolines Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carboximidamides Carboxamidines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Pyridine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Isoxazoline - Carboxamide group - Secondary carboxylic acid amide - Amidine - Oxacycle - Carboxylic acid amidine - Azacycle - Carboxylic acid - Organoheterocyclic compound - Carboximidamide - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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