Compound Identification
SMILES
CON=C(C(=O)NC1S[C@H]2CC(=O)N2C(C(O)=O)=C1OS(=O)(=O)C(F)(F)F)C1=CSC(N)=N1
InChIKey
InChIKey=RQAPBUCLJWJXLI-OCAOPBLFSA-N
Formula
C14H12F3N5O8S3
Mass
531.45
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
Cephems Trifluoromethanesulfonates 2,4-disubstituted thiazoles 1,3-thiazines Sulfonic acid esters 2-amino-1,3-thiazoles Organosulfonic acid esters Tertiary carboxylic acid amides Sulfonyls Heteroaromatic compounds Methanesulfonates N,S-acetals Trihalomethanes Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acids Azacyclic compounds Dialkylthioethers Monocarboxylic acids and derivatives Primary amines Carbonyl compounds Alkyl fluorides Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cephem - Trifluoromethanesulfonate - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Sulfonic acid ester - Organosulfonic acid ester - 1,3-thiazol-2-amine - Azole - Beta-lactam - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Thiazole - N,s-acetal - Heteroaromatic compound - Tertiary amine - Trihalomethane - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Amino acid - Lactam - Azacycle - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Primary amine - Alkyl halide - Organic oxide - Halomethane - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic 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