Compound Identification
SMILES
CC1=NC2=CC=CC=C2C(COC2=CC=C(C=C2)C(=O)NC2(CC(=O)NO)CCS(=O)CC2)=C1
InChIKey
InChIKey=MKGMFZDKQXICAL-UHFFFAOYSA-N
Formula
C25H27N3O5S
Mass
481.57
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
Quinolines and derivatives Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Methylpyridines Thianes Heteroaromatic compounds Sulfoxides Secondary carboxylic acid amides Hydroxamic acids Sulfinyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Quinoline - Benzamide - Benzoic acid or derivatives - Phenol ether - Phenoxy compound - Benzoyl - Alkyl aryl ether - Methylpyridine - Benzenoid - Thiane - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Carboxamide group - Sulfoxide - Secondary carboxylic acid amide - Hydroxamic acid - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Ether - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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