Compound Identification
SMILES
COC1=CC=C(NC(=O)C2C3NC(=S)N(C4=CC=CC(C)=C4)C2(C)OC2=CC=CC=C32)C=C1
InChIKey
InChIKey=SENMRYTXYQNTHW-UHFFFAOYSA-N
Formula
C26H25N3O3S
Mass
459.56
Taxonomic Classification
Taxonomy Tree
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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
1-benzopyrans N-phenylthioureas Methoxyanilines Anilides Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Toluenes Alkyl aryl ethers Diazinanes Thioureas Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - N-phenylthiourea - 1-benzopyran - Benzopyran - Chromane - Methoxyaniline - Anilide - Methoxybenzene - Phenol ether - N-arylamide - Anisole - Phenoxy compound - Toluene - Alkyl aryl ether - 1,3-diazinane - Benzenoid - Monocyclic benzene moiety - Carboxamide group - Thiourea - Secondary carboxylic acid amide - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur 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