Compound Identification
SMILES
[Na+].CO\N=C(\C(=O)NC1[C@H]2SCC(CN2C1=O)(SCC1COC(C)(C)O1)C([O-])=O)C1=CSC(N)=N1
InChIKey
InChIKey=LGMRQSXFKIUNIC-OWDUSVSNSA-M
Formula
C19H24N5NaO7S3
Mass
553.6
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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Cephams 2,4-disubstituted thiazoles Ketals Thiazinanes Primary aromatic amines 2-amino-1,3-thiazoles 1,3-dioxolanes Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organic sodium salts Organopnictogen compounds Organic oxides Organic zwitterions Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Cepham - 2,4-disubstituted 1,3-thiazole - Ketal - Primary aromatic amine - 1,3-thiazinane - 1,3-thiazol-2-amine - Meta-dioxolane - Azole - Beta-lactam - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Lactam - Carboxylic acid salt - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Azetidine - Thioether - Azacycle - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Hemithioaminal - Sulfenyl compound - Oxacycle - Dialkylthioether - Acetal - Organoheterocyclic compound - Organic salt - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic sodium salt - Hydrocarbon derivative - Amine - Organic zwitterion - 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