Compound Identification
SMILES
CCSC1=CC(CC(N)C(O)=O)=CC(SCC)=C1OC1=CC(C(C)C)=C(OC)C=C1
InChIKey
InChIKey=VNSNCYUNQSWUQY-UHFFFAOYSA-N
Formula
C23H31NO4S2
Mass
449.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
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
Diphenylethers Phenylpropanoic acids Diarylethers Alpha amino acids Amphetamines and derivatives Phenylpropanes Cumenes Thiophenol ethers Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aralkylamines Alkylarylthioethers Amino acids Carboxylic acids Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Diphenylether - Diaryl ether - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Cumene - Phenylpropane - Aryl thioether - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Thiophenol ether - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Organic oxide - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organopnictogen compound - 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