Compound Identification
SMILES
OC(=O)C1=NN(C(=O)C1N=NC1=C(C=C(NC2=NC(Cl)=NC(NC3=CC=C(C=C3)S(=O)(=O)CCOS(O)(=O)=O)=N2)C=C1)S(O)(=O)=O)C1=CC=C(C=C1)S(O)(=O)=O
InChIKey
InChIKey=OLIHBIHKHTZJSX-UHFFFAOYSA-N
Formula
C27H22ClN9O15S4
Mass
876.21
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
- 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 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Chloro-s-triazines Sulfuric acid monoesters Pyrazolones Alkyl sulfates Aryl chlorides Sulfones Organosulfonic acids Heteroaromatic compounds Azo compounds Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Secondary amines Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 2,4-diamine-s-triazine - Aniline or substituted anilines - Chloro-s-triazine - Halo-s-triazine - Amino-1,3,5-triazine - Aminotriazine - Pyrazolinone - Sulfuric acid monoester - Sulfate-ester - Triazine - Aryl chloride - Alkyl sulfate - Sulfuric acid ester - Benzenoid - Monocyclic benzene moiety - Aryl halide - 1,3,5-triazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Pyrazoline - Heteroaromatic compound - Organic sulfuric acid or derivatives - Sulfone - Amino acid - Azo compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen 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