Compound Identification
SMILES
[Na+].CCOC(=O)C(C(=O)N[C@H]1[C@H]2N(C(C([O-])=O)C(C)(C)S2(=O)=O)C1=O)=C1SCCS1
InChIKey
InChIKey=PEJVWUCVJUBSHX-USRWTVPYSA-M
Formula
C16H19N2NaO8S3
Mass
486.5
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
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Subclass
Amino acids, peptides, and analogues
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Level 5
Peptides
- Level 6 Dipeptides
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Level 5
Peptides
-
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
Peptides
Direct Parent
Dipeptides
Alternative Parents
Penicillins N-acyl-alpha amino acids and derivatives Vinylogous thioesters Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Sulfones Thiazolidines Enoate esters 1,3-dithiolanes Secondary carboxylic acid amides Azetidines Carboxylic acid salts Ketene acetals Carboxylic acids Azacyclic compounds Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic sodium salts Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Penam - Dicarboxylic acid or derivatives - Vinylogous thioester - Beta-lactam - Dithiolane - Sulfone - Tertiary carboxylic acid amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazolidine - 1,3-dithiolane - Azetidine - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Ketene acetal or derivatives - Lactam - Secondary carboxylic acid amide - Azacycle - Carboxylic acid - Organic alkali metal salt - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic sodium salt - Organic salt - Organic zwitterion - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors
Not available