Compound Identification
SMILES
CC1=CC(C)=C(C(C)=C1)S(=O)(=O)N[C@@H](CC1=CC=C(C=C1)C1=CC(NC2=C(NC3CC3)C(=O)C2=O)=CC=C1)C(O)=O
InChIKey
InChIKey=MLRJOXSFEYKLLF-VWLOTQADSA-N
Formula
C31H31N3O6S
Mass
573.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
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
Biphenyls and derivatives Phenylpropanoic acids Amphetamines and derivatives Benzenesulfonamides Benzenesulfonyl compounds Aniline and substituted anilines Secondary alkylarylamines Primary aromatic amines Organosulfonamides Aminosulfonyl compounds Vinylogous amides Amino acids Cyclic ketones Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Biphenyl - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Organosulfonic acid amide - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Cyclic ketone - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Secondary amine - Amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic 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