Compound Identification
SMILES
OC(=O)C[C@H](NC(=O)C1=CC(=CN=C1)S(=O)(=O)NCC1=NOC=C1)C(=O)CSCC1=CC=C(F)C=C1
InChIKey
InChIKey=PYBVQYHXXJQTSL-IBGZPJMESA-N
Formula
C22H21FN4O7S2
Mass
536.55
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
Pyridinesulfonamides Nicotinamides Gamma-keto acids and derivatives Fluorobenzenes Aryl fluorides Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Isoxazoles Secondary carboxylic acid amides Ketones Oxacyclic compounds Dialkylthioethers Carboxylic acids Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Pyridine-3-sulfonamide - Nicotinamide - Pyridine carboxylic acid or derivatives - Gamma-keto acid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Keto acid - Benzenoid - Pyridine - Organosulfonic acid amide - Azole - Heteroaromatic compound - Isoxazole - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Ketone - Thioether - Sulfenyl compound - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Dialkylthioether - Organosulfur compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organofluoride - 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