Compound Identification
SMILES
[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)CC3=NC(CC4=CC=CC=C4)=NO3)C(=O)N2[C@H]1C([O-])=O
InChIKey
InChIKey=NLKYDBUBMKGQGD-WKLLBTDKSA-M
Formula
C19H19N4NaO5S
Mass
438.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
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 Benzene and substituted derivatives 1,2,4-oxadiazoles Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Secondary carboxylic acid amides Carboxylic acid salts Monocarboxylic acids and derivatives Oxacyclic compounds Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic sodium salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Penam - Monocyclic benzene moiety - Benzenoid - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Beta-lactam - Oxadiazole - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Secondary carboxylic acid amide - Hemithioaminal - Organoheterocyclic compound - Thioether - Organic alkali metal salt - Dialkylthioether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organic sodium salt - Organic oxide - 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