Compound Identification
SMILES
CC1=C(C=CC(=C1)S(O)(=O)=O)N1N=C(C(N=NC2=C(C=CC(NC3=NC(=NC(C)=C3Cl)S(C)(=O)=O)=C2)S(O)(=O)=O)C1=O)C(O)=O
InChIKey
InChIKey=APHVVPPDBAKWTE-UHFFFAOYSA-N
Formula
C23H20ClN7O11S3
Mass
702.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- 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
Alpha amino acids and derivatives
Alternative Parents
Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aniline and substituted anilines Toluenes Aminopyrimidines and derivatives Halopyrimidines Pyrazolones Aryl chlorides Imidolactams Sulfones Organosulfonic acids Heteroaromatic compounds Azo compounds Amino acids Carboxylic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Secondary amines Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrazolinone - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Pyrazoline - Azo compound - Amino acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Secondary amine - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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