Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C(NCC1=CC2=C(OCO2)C=C1)C(CNCC1=CC2=C(OCO2)C=C1)C(O)=O
InChIKey
InChIKey=FWMNGKSRLXGCAD-UHFFFAOYSA-N
Formula
C28H28N2O8
Mass
520.538
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Phenylpropanoic acids Benzoic acid esters Benzodioxoles Benzoyl derivatives Aralkylamines Dicarboxylic acids and derivatives Methyl esters Amino acids Acetals Oxacyclic compounds Dialkylamines Carboxylic acids Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - 3-phenylpropanoic-acid - Benzoate ester - Benzodioxole - Benzoic acid or derivatives - Benzoyl - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Methyl ester - Amino acid - Carboxylic acid ester - Acetal - Organoheterocyclic compound - Secondary amine - Oxacycle - Secondary aliphatic amine - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available