Compound Identification
SMILES
COC(=O)CC(NC1N(CCCOC(C)C)C(=O)C2=CC=CC=C12)C1=CC=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=HERLTTBSSJXNPR-UHFFFAOYSA-N
Formula
C31H36N2O5
Mass
516.638
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
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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
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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
Isoindolones Isoindoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Fatty acid esters Tertiary carboxylic acid amides Methyl esters Lactams Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Azacycle - Ether - Dialkyl ether - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - 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