Compound Identification
SMILES
CC1(C)SC2C(NC=O)C(=O)N2C1C([O-])=O
InChIKey
InChIKey=MDQGTDMBVJCTBN-UHFFFAOYSA-M
Formula
C9H11N2O4S
Mass
243.26
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
Penicillins N-formyl-alpha amino acids Tertiary carboxylic acid amides Thiazolidines Secondary carboxylic acid amides Carboxylic acid salts Azetidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Penicillin - N-formyl-alpha-amino acid - N-formyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Penam - Beta-lactam - Thiazolidine - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Secondary carboxylic acid amide - Azacycle - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Dialkylthioether - Hemithioaminal - Thioether - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic anion - 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