Compound Identification
SMILES
COC(=O)CCCCCNC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OP(=O)(OC)C1=CC=CC=C1)N2
InChIKey
InChIKey=BTSAWBDRKHCCSQ-BARUVXDHSA-N
Formula
C22H33N2O6P
Mass
452.488
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 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
Tropane alkaloids Piperidinecarboxamides Fatty acid methyl esters Phosphonic acid diesters Phosphonic acid esters Benzene and substituted derivatives Methyl esters Pyrrolidines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - 3-piperidinecarboxamide - Piperidinecarboxamide - Tropane alkaloid - Fatty acid ester - Fatty acid methyl ester - Phosphonic acid diester - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Piperidine - Phosphonic acid ester - Methyl ester - Pyrrolidine - Organophosphonic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organophosphorus 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