Compound Identification
SMILES
[Na+].CC1=C(C(=O)NC2C3SC(C)(C)C(N3C2=O)C([O-])=O)C(=NO1)C1=C(F)C=CC=C1Cl
InChIKey
InChIKey=OTEANHMVDHZOPB-UHFFFAOYSA-M
Formula
C19H16ClFN3NaO5S
Mass
475.85
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 Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Isoxazoles Secondary carboxylic acid amides Azetidines Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Organic metal halides Monocarboxylic acids and derivatives Thiohemiaminal derivatives Organic zwitterions Organofluorides Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Penam - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Isoxazole - Thiazolidine - Heteroaromatic compound - Azole - Beta-lactam - Tertiary carboxylic acid amide - Lactam - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Azetidine - Organic metal halide - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid - Dialkylthioether - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Organic salt - Hydrocarbon derivative - Organic oxide - Organic sodium salt - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen 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