Compound Identification
SMILES
CC(C)C[C@H](NC(=O)C(CNCCCC1=CC=CC=C1)CC1=CC=CC2=CC=CC=C12)C(=O)C(O)[C@@H](N)CC1=CN=CN1
InChIKey
InChIKey=DKIYZXUFUHEHEI-BBPWQIKWSA-N
Formula
C35H45N5O3
Mass
583.777
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
Naphthalenes Phenylpropylamines Aralkylamines Acyloins Beta-amino ketones Fatty amides Monosaccharides Imidazoles Heteroaromatic compounds Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Dialkylamines Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Naphthalene - Phenylpropylamine - Aralkylamine - Acyloin - Monocyclic benzene moiety - Beta-aminoketone - Fatty amide - Monosaccharide - Benzenoid - Fatty acyl - Heteroaromatic compound - Azole - Alpha-hydroxy ketone - Imidazole - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Ketone - Secondary amine - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Primary amine - Amine - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - 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