Compound Identification
SMILES
CCCS(=O)(=O)N1C2C[N+](CC3=CC=C(C=C3)C(=O)NCCC(O)=O)(C\C2=N/O)CC1=O
InChIKey
InChIKey=FADFNNNEFGZVCA-CJLVFECKSA-O
Formula
C20H27N4O7S
Mass
467.52
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
-
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
Alpha amino acids and derivatives Benzamides Phenylmethylamines Benzoyl derivatives Benzylamines 1,4-diazepanes Aralkylamines N-alkylpiperazines N-alkylpyrrolidines Tetraalkylammonium salts Sulfonyls Organosulfonic acids and derivatives Secondary carboxylic acid amides Carboxylic acids Oximes Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzylamine - Benzoyl - Phenylmethylamine - 1,4-diazepane - Diazepane - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - N-alkylpyrrolidine - Piperazine - Tetraalkylammonium salt - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Quaternary ammonium salt - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Oxime - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Amine - Organic cation - 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