Compound Identification
SMILES
[Na+].COC1=CC=C(OC2=C(CNC(CC3=CC=CC=C3)C([O-])=O)SC3=CC(OC)=C(OC)C=C23)C=C1
InChIKey
InChIKey=XKRKDWIHLGNALI-UHFFFAOYSA-M
Formula
C27H26NNaO6S
Mass
515.56
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
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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 Diarylethers Alpha amino acids Amphetamines and derivatives 1-benzothiophenes Phenoxy compounds Anisoles Methoxybenzenes Aralkylamines Alkyl aryl ethers Heteroaromatic compounds Thiophenes Carboxylic acid salts Amino acids Dialkylamines Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic sodium salts Carbonyl compounds Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - 3-phenylpropanoic-acid - Diaryl ether - Alpha-amino acid - Amphetamine or derivatives - 1-benzothiophene - Benzothiophene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Amino acid - Carboxylic acid salt - Secondary amine - Organoheterocyclic compound - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Organic zwitterion - Organic sodium salt - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organic salt - 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