Compound Identification
SMILES
[K+].CO\N=C(\C(=O)NCC(C)(C)C1=C(N2[C@H](O1)[C@@H]([C@@H](C)O)C2=O)C([O-])=O)C1=CSC(N)=N1
InChIKey
InChIKey=CWTMSEOADRJUJQ-RNJSXHMQSA-M
Formula
C18H22KN5O7S
Mass
491.56
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
-
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
Alpha amino acids and derivatives
Alternative Parents
1,4-oxazepines 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Vinylogous esters Tertiary carboxylic acid amides Oxazolines Beta lactams Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Amino acids Azetidines Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Primary amines Organic zwitterions Carbonyl compounds Hydrocarbon derivatives Organic potassium salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Para-oxazepine - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Azole - Beta-lactam - Heteroaromatic compound - Oxazoline - Tertiary carboxylic acid amide - Thiazole - Vinylogous ester - Azetidine - Amino acid - Carboxamide group - Carboxylic acid salt - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Organoheterocyclic compound - Organic alkali metal salt - Oxacycle - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organic potassium salt - Amine - Organonitrogen compound - Organic oxide - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - 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