Compound Identification
SMILES
OCCN(CCO)C1=CC=CC=C1CC(N1C(=O)C2=CC=CC=C2C1=O)C(O)=O
InChIKey
InChIKey=SIXZCGGIWOIEJY-UHFFFAOYSA-N
Formula
C21H22N2O6
Mass
398.415
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
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
Indolyl carboxylic acids and derivatives Phthalimides Phenylpropanoic acids Amphetamines and derivatives Indoles Isoindoles Aniline and substituted anilines Dialkylarylamines N-substituted carboxylic acid imides 1,2-aminoalcohols Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Indolyl carboxylic acid derivative - Phthalimide - 3-phenylpropanoic-acid - Isoindolone - Amphetamine or derivatives - Isoindole or derivatives - Isoindole - Indole - Isoindoline - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Carboxylic acid imide, n-substituted - Benzenoid - Monocyclic benzene moiety - Carboxylic acid imide - Tertiary amine - Amino acid - 1,2-aminoalcohol - Alkanolamine - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen 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