Compound Identification
SMILES
CCOC(=O)C(C(=O)NC1C2SC(C)(C)C(N2C1=O)C(O)=O)=C1SCCS1
InChIKey
InChIKey=KGMSVZWTVJSZIA-UHFFFAOYSA-N
Formula
C16H20N2O6S3
Mass
432.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
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 1,3-dithiolanes Thiazolidines Tertiary carboxylic acid amides Enoate esters Azetidines Secondary carboxylic acid amides Ketene acetals Azacyclic compounds Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives 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 - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,3-dithiolane - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Lactam - Secondary carboxylic acid amide - Azacycle - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - 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