Compound Identification
SMILES
O=C([C@@H]1[C@H]2[C@@H]([C@@H]3[NH+]1C=CC1=CC=CC=C31)C(=O)NC2=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=JAQYPYBTODPTBD-MANSERQUSA-O
Formula
C22H17N2O5
Mass
389.386
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
Benzodioxoles Aryl alkyl ketones Aralkylamines Pyrrolidine-2-ones Benzenoids Alpha-amino ketones N-unsubstituted carboxylic acid imides Dicarboximides Trialkylamines Lactams Oxacyclic compounds Acetals Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Aldehydes Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzodioxole - Aryl ketone - Aryl alkyl ketone - Aralkylamine - Pyrrolidone - 2-pyrrolidone - Benzenoid - Alpha-aminoketone - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Ketone - Lactam - Organoheterocyclic compound - Azacycle - Oxacycle - Acetal - Organic oxide - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Aldehyde - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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