Compound Identification
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)N1CCC2(CC1)OCCO2)C1=CC=CO1
InChIKey
InChIKey=SUQCWFMVCHJDGM-SFHVURJKSA-N
Formula
C21H26N2O7S
Mass
450.51
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
-
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
Azaspirodecane derivatives Benzenesulfonamides Benzenesulfonyl compounds N-acylpiperidines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Ketals Organosulfonamides Tertiary carboxylic acid amides 1,3-dioxolanes Aminosulfonyl compounds Heteroaromatic compounds Furans Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzenesulfonamide - Azaspirodecane - N-acyl-piperidine - Benzenesulfonyl group - Phenol ether - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - Ketal - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Piperidine - Meta-dioxolane - Furan - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carboxamide group - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - 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