Compound Identification
SMILES
CC1=NC2=C(C=CC=C2OCC2=C(Cl)C=CC(=C2Cl)S(=O)(=O)NC2(CCCC2)C(=O)N2CCN(CC2)C(=O)C[C@@H](N)CCCN=C(N)N)C(C)=C1
InChIKey
InChIKey=COEYQHHSXLKKSG-DEOSSOPVSA-N
Formula
C35H46Cl2N8O5S
Mass
761.76
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
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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
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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 Alpha amino acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Phenol ethers Dichlorobenzenes Alkyl aryl ethers Methylpyridines Piperazines Organosulfonamides Aryl chlorides Tertiary carboxylic acid amides Aminosulfonyl compounds Heteroaromatic compounds Guanidines Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Monoalkylamines Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Alpha-amino acid or derivatives - Benzenesulfonamide - Quinoline - Benzenesulfonyl group - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Methylpyridine - Halobenzene - 1,4-diazinane - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Piperazine - Pyridine - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Aminosulfonyl compound - Guanidine - Carboxamide group - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Primary amine - Amine - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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