Compound Identification
SMILES
OC(=O)C[C@H](NC(=O)C1=CC(=CN=C1)S(=O)(=O)NC1CC1)C(=O)COC1=CC=CC=C1
InChIKey
InChIKey=POFDGSNUKFGWMD-KRWDZBQOSA-N
Formula
C20H21N3O7S
Mass
447.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Pyridinesulfonamides Nicotinamides Phenoxy compounds Phenol ethers Gamma-keto acids and derivatives Alkyl aryl ethers Organosulfonamides Monosaccharides Aminosulfonyl compounds Heteroaromatic compounds Ketones Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Pyridine-3-sulfonamide - Nicotinamide - Pyridine carboxylic acid or derivatives - Phenoxy compound - Gamma-keto acid - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Keto acid - Monosaccharide - Pyridine - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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