Compound Identification
SMILES
CC1=NC2=CC=CC=C2C(COC2=CC=C(C=C2)C(=O)NC(CC(=O)NO)C2=CC=CS2)=C1
InChIKey
InChIKey=RRUCEXQVLHTLGE-UHFFFAOYSA-N
Formula
C25H23N3O4S
Mass
461.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
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 Benzoyl derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Methylpyridines Heteroaromatic compounds Thiophenes Hydroxamic acids Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Quinoline - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Methylpyridine - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Thiophene - Hydroxamic acid - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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