Compound Identification
SMILES
[Na+].[H][C@]12SCC(COC)=C(N1C(=O)[C@@]2([H])N=C([O-])C(=N/OC)\C1=CSC(=N)N1)C(O)=O
InChIKey
InChIKey=JNMXSNGAMPXCDR-XYNKDNFRSA-M
Formula
C15H16N5NaO6S2
Mass
449.43
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Cephems 1,3-thiazines Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Isothioureas Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidic acids Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Dialkyl ethers Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic sodium salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Cephem - Meta-thiazine - Azole - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Azetidine - Isothiourea - Lactam - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hemithioaminal - Thioether - Dialkylthioether - Carboximidic acid derivative - Carboxylic acid - Organoheterocyclic compound - Carboximidic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic sodium salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available