Compound Identification
SMILES
[Na+].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=YMCOBROQPZDSMS-OWRVLCJCSA-M
Formula
C26H25ClN9NaO7S
Mass
666.04
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
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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 1,3,5-triazine-2,4-diamines Anisoles Phenylhydrazines Phenoxy compounds Aryl ketones Dialkylarylamines Methoxybenzenes Alkyl aryl ethers Chloro-s-triazines N-aliphatic s-triazines Aryl chlorides Heteroaromatic compounds Sulfonyls Organosulfonic acids Primary carboxylic acid amides Hydrazones Azacyclic compounds Organic metal halides Organic sodium salts Organic zwitterions Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Naphthalene - Methoxyaniline - Aryl ketone - Phenylhydrazine - Phenol ether - Dialkylarylamine - Phenoxy compound - 2,4-diamine-s-triazine - Methoxybenzene - Anisole - N-aliphatic s-triazine - Alkyl aryl ether - Aminotriazine - Amino-1,3,5-triazine - Halo-s-triazine - Chloro-s-triazine - 1,3,5-triazine - Benzenoid - Triazine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Primary carboxylic acid amide - Carboxamide group - Ketone - Organic metal halide - Organoheterocyclic compound - Azacycle - Organic alkali metal salt - Ether - Hydrazone - Organic zwitterion - Organic sodium salt - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic salt - Organic oxide - 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