Compound Identification
SMILES
COC1=NC(Cl)=NC(NC2=C(C=C(N=NC3C(C)=NN(C3=O)C3=CC=C(C=C3)S(O)(=O)=O)C(=C2)S(O)(=O)=O)S(O)(=O)=O)=N1
InChIKey
InChIKey=HUSJIKQIZAGNCL-UHFFFAOYSA-N
Formula
C20H17ClN8O11S3
Mass
677.03
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
Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines 2-methoxy-1,3,5-triazines Alkyl aryl ethers Aminotriazines Chloro-s-triazines Aryl chlorides Pyrazolones Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Aniline or substituted anilines - Alkyl aryl ether - Chloro-s-triazine - Halo-s-triazine - Amino-1,3,5-triazine - Aminotriazine - 1,3,5-triazine - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Aryl halide - Aryl chloride - Triazine - Heteroaromatic compound - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Carbonyl group - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - 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