Compound Identification
SMILES
ClC1=CC2=C(C=C(S2)S(=O)(=O)N2CCN(CC3=NC(=CS3)C(=O)N3CCNCC3)C(=O)C2)C=C1
InChIKey
InChIKey=TVXDGKUIFZSQKC-UHFFFAOYSA-N
Formula
C21H22ClN5O4S3
Mass
540.07
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Alpha amino acids and derivatives
Alternative Parents
1-benzothiophenes Thiazolecarboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides 2,4-disubstituted thiazoles N-alkylpiperazines Organosulfonamides Aryl chlorides Benzenoids Tertiary carboxylic acid amides Sulfonyls Heteroaromatic compounds Lactams Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - 1-benzothiophene - Benzothiophene - 2-heteroaryl carboxamide - 2,3,5-trisubstituted thiophene - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Organosulfonic acid amide - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiophene - Sulfonyl - Tertiary carboxylic acid amide - Thiazole - Carboxamide group - Lactam - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Azacycle - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available