Compound Identification
SMILES
CC(C)(C)NCC1=CC2=C(C=C1)[C@@H](CCO2)NC(=O)C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1N=CC=C2
InChIKey
InChIKey=LMBXBQWAWZVDNH-LADGPHEKSA-N
Formula
C29H36N4O4S
Mass
536.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
1-benzopyrans Quinolines and derivatives Alkyl aryl ethers Aralkylamines Benzenoids Organosulfonamides Pyridines and derivatives Heteroaromatic compounds Sulfonyls Pyrrolidines Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Chromane - Benzopyran - Quinoline - 1-benzopyran - Alkyl aryl ether - Aralkylamine - Pyridine - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Pyrrolidine - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - 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