Compound Identification
SMILES
CC(=O)OCC1CSC2C(NC(=O)CC#N)C(=O)N2C1C(O)=O
InChIKey
InChIKey=ZPYQRDREPIEFJK-UHFFFAOYSA-N
Formula
C13H15N3O6S
Mass
341.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
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
N-acyl-alpha amino acids and derivatives Cephams Thiazinanes Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Azacyclic compounds Nitriles Dialkylthioethers Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Cepham - Dicarboxylic acid or derivatives - 1,3-thiazinane - Beta-lactam - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Carboxylic acid - Azacycle - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Carbonitrile - Nitrile - Thioether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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