Compound Identification
SMILES
[Na+].COC1=CC=CC(OC)=C1C(=O)NC1C2SC(C)(C)C(N2C1=O)C([O-])=O
InChIKey
InChIKey=MGFZNWDWOKASQZ-UHFFFAOYSA-M
Formula
C17H19N2NaO6S
Mass
402.4
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 Dimethoxybenzenes Benzamides Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Carboxylic acid salts Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Organic oxides Carbonyl compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid or derivatives - Benzamide - Phenol ether - Penam - Phenoxy compound - Benzoyl - Anisole - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Thiazolidine - Beta-lactam - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Dialkylthioether - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid - Organic alkali metal salt - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic sodium salt - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organonitrogen compound - Organic nitrogen 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