Compound Identification
SMILES
CC1=NC(N2CCC(CC2)C2=NC3=C(CCCN3)C=C2)=C(C)C(NC[C@H](CC(=O)CCC23CC4(C)CC(C)(CC(C)(C4)C2)C3)C(=O)OC(C)(C)C)=N1
InChIKey
InChIKey=LRNITLPNVNOKDQ-GTBWEGNFSA-N
Formula
C43H64N6O3
Mass
713.024
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Naphthyridines Gamma-keto acids and derivatives Dialkylarylamines Secondary alkylarylamines Aminopyrimidines and derivatives Fatty acid esters Pyridines and derivatives Piperidines Imidolactams Gamma-amino ketones Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Naphthyridine - Gamma-keto acid - Dialkylarylamine - Aminopyrimidine - Fatty acid ester - Secondary aliphatic/aromatic amine - Gamma-aminoketone - Keto acid - Piperidine - Pyridine - Pyrimidine - Imidolactam - Fatty acyl - Heteroaromatic compound - Carboxylic acid ester - Tertiary amine - Ketone - Organoheterocyclic compound - Secondary amine - Azacycle - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organooxygen 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