Compound Identification
SMILES
[Na+].CS\C(=C\C1=CC=CC=C1Cl)C(=O)N[C@@H]1[C@@H]2SC(C)(C)[C@H](N2C1=O)C([O-])=O
InChIKey
InChIKey=PGFWSCYNZHTDEM-QMNIJXHJSA-M
Formula
C18H18ClN2NaO4S2
Mass
448.91
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 Cinnamic acid amides Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Thiazolidines Secondary carboxylic acid amides Azetidines Carboxylic acid salts Thioenol ethers Sulfenyl compounds Azacyclic compounds Carboxylic acids Thiohemiaminal derivatives Dialkylthioethers Monocarboxylic acids and derivatives Organic metal halides Carbonyl compounds Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organic sodium salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Cinnamic acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Penam - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Secondary carboxylic acid amide - Thioenolether - Thioether - Dialkylthioether - Hemithioaminal - Sulfenyl compound - Organic alkali metal salt - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic metal halide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic oxide - Organic sodium salt - Carbonyl group - Organic zwitterion - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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