Compound Identification
SMILES
CC1=CC2=C(NC(=O)CO2)C=C1S(=O)(=O)NC(CC1=CC=C(F)C=C1)C(O)=O
InChIKey
InChIKey=DADYFZWZCIUFGS-UHFFFAOYSA-N
Formula
C18H17FN2O6S
Mass
408.4
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
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Phenylalanine and derivatives
Alternative Parents
Phenylpropanoic acids Benzoxazinones Amphetamines and derivatives Benzomorpholines Alkyl aryl ethers Fluorobenzenes Organosulfonamides Aryl fluorides Aminosulfonyl compounds Secondary carboxylic acid amides Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - 3-phenylpropanoic-acid - Benzoxazinone - Amphetamine or derivatives - Benzomorpholine - Benzoxazine - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Oxazinane - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Lactam - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available