Compound Identification
SMILES
[Na+].COC(C(=O)NC1C2SC(C)(C)C(N2C1=O)C([O-])=O)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=VJOSJOPYZRNYSD-UHFFFAOYSA-M
Formula
C17H17Cl2N2NaO5S
Mass
455.28
Taxonomic Classification
Taxonomy Tree
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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 Phenylacetamides Benzylethers Dichlorobenzenes Aryl chlorides Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Carboxylic acid salts Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkyl ethers Dialkylthioethers Monocarboxylic acids and derivatives Organic metal halides Organochlorides Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic sodium salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Benzylether - Penam - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Beta-lactam - Thiazolidine - Tertiary carboxylic acid amide - Lactam - Azetidine - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Organic metal halide - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid - Dialkyl ether - Dialkylthioether - Ether - Hemithioaminal - Monocarboxylic acid or derivatives - Thioether - Organic salt - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic sodium salt - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - 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