Compound Identification
SMILES
[Na+].CC1=C(C(=O)NC2C3SC(C)(C)C(N3C2=O)C([O-])=O)C(=NS1)C1=C(Cl)C=CC=C1Cl
InChIKey
InChIKey=DEKTVTIIUNTHJS-UHFFFAOYSA-M
Formula
C19H16Cl2N3NaO4S2
Mass
508.36
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 Thiazolecarboxamides Dichlorobenzenes Aryl chlorides Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Carboxylic acid salts Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organic metal halides Organochlorides Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organic sodium salts Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - Penam - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Thiazole - Tertiary carboxylic acid amide - Azole - Thiazolidine - Beta-lactam - Heteroaromatic compound - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Dialkylthioether - Organic metal halide - Carboxylic acid - Azacycle - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic sodium salt - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Aromatic 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