Compound Identification
SMILES
[O-][N+]1=CC=C(C=C1)C1=CN=C(S1)C(=O)N1CCN(CC1CC(=O)N1CCCC1)S(=O)(=O)C1=CC2=C(N1)C=CC(Cl)=C2
InChIKey
InChIKey=JDONKZIHKIKOCA-UHFFFAOYSA-N
Formula
C27H27ClN6O5S2
Mass
615.12
Taxonomic Classification
Taxonomy Tree
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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
Indoles Thiazolecarboxamides 2-heteroaryl carboxamides N-acylpyrrolidines 2,5-disubstituted thiazoles Substituted pyrroles Pyridinium derivatives Piperazines Organosulfonamides Aryl chlorides Benzenoids Tertiary carboxylic acid amides Sulfonyls Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Indole or derivatives - Indole - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - N-acylpyrrolidine - 2-heteroaryl carboxamide - 2,5-disubstituted 1,3-thiazole - Organosulfonic acid amide - Pyridinium - Benzenoid - Piperazine - Pyridine - Substituted pyrrole - 1,4-diazinane - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic cation - 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