Compound Identification
SMILES
COC1=CC=C(N\N=C2\C(=O)C3=C(C=C(NC4=NC(=NC(Cl)=N4)N(CCC(N)=O)CCC(N)=O)C=C3)C=C2S(O)(=O)=O)C=C1
InChIKey
InChIKey=BONWLCQKOCOXFL-FADJLKOXSA-N
Formula
C26H26ClN9O7S
Mass
644.06
Taxonomic Classification
Taxonomy Tree
-
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
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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
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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
Naphthalenes Methoxyanilines Aryl ketones Phenylhydrazines Phenoxy compounds Dialkylarylamines 1,3,5-triazine-2,4-diamines Methoxybenzenes Anisoles Chloro-s-triazines Alkyl aryl ethers N-aliphatic s-triazines Aryl chlorides Heteroaromatic compounds Organosulfonic acids Sulfonyls Primary carboxylic acid amides Hydrazones Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Naphthalene - Methoxyaniline - Phenoxy compound - 2,4-diamine-s-triazine - Phenol ether - Phenylhydrazine - Aryl ketone - Anisole - Dialkylarylamine - Methoxybenzene - Alkyl aryl ether - Chloro-s-triazine - Halo-s-triazine - Amino-1,3,5-triazine - N-aliphatic s-triazine - Aminotriazine - Monocyclic benzene moiety - Triazine - Benzenoid - Aryl halide - Aryl chloride - 1,3,5-triazine - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Ketone - Hydrazone - Ether - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organic oxygen compound - Amine - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic 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