Compound Identification
SMILES
CC(C)CC(NC(=O)C(O)C(O)C(N)CC(N)=O)C1CC2=C(C(O)=CC=C2)C(=O)O1
InChIKey
InChIKey=DCPWYLSPIAHJFU-UHFFFAOYSA-N
Formula
C20H29N3O7
Mass
423.466
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 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
2-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids N-acyl amines Monosaccharides Vinylogous acids 1,3-aminoalcohols Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides 1,2-aminoalcohols 1,2-diols Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - 2-benzopyran - Isochromane - Benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty amide - Monosaccharide - N-acyl-amine - Benzenoid - Fatty acyl - Vinylogous acid - 1,3-aminoalcohol - Lactone - 1,2-diol - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - 1,2-aminoalcohol - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Alcohol - Organopnictogen compound - Organic oxygen 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