Compound Identification
SMILES
COC1=NC(N2CCC(CC2)C2=NC3=C(CCCN3)C=C2)=C(C)C(NC[C@H](CC(=O)OCC2=CC=CC=C2)C(O)=O)=N1
InChIKey
InChIKey=AXYWUSRRNIFJPU-DEOSSOPVSA-N
Formula
C31H38N6O5
Mass
574.682
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
Benzyloxycarbonyls Naphthyridines Dialkylarylamines Secondary alkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Fatty acid esters Pyridines and derivatives Piperidines Imidolactams Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Amino acids Carboxylic acids Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzyloxycarbonyl - Naphthyridine - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Fatty acid ester - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Fatty acyl - Heteroaromatic compound - Amino acid - Tertiary amine - Carboxylic acid ester - Ether - Carboxylic acid - Azacycle - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen 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