Compound Identification
SMILES
CN(CCC1=CC=C(C=C1)C1=NCCN1)C(=O)CCN(C)S(=O)(=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=YTNGMOUREATPFM-UHFFFAOYSA-N
Formula
C22H26ClN5O5S
Mass
507.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Organosulfonamides Imidolactams Aminosulfonyl compounds Tertiary carboxylic acid amides Imidazolines Carboximidamides Carboxamidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Amines Hydrocarbon derivatives Organic salts Carbonyl compounds Organochlorides Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Organosulfonic acid amide - Benzenoid - 2-imidazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Aminosulfonyl compound - Carboxamide group - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Carboxylic acid amidine - Organic oxoazanium - Organoheterocyclic compound - Amidine - Organic nitrogen compound - Amine - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic cation - Aromatic heteromonocyclic 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