Compound Identification
SMILES
CC1(C)SC2C(NC(=O)CCC3=CC4=C(OC(=O)CC(=O)O4)C=C3)C(=O)N2C1C(O)=O
InChIKey
InChIKey=WSTWBOOXZLYHNR-UHFFFAOYSA-N
Formula
C20H20N2O8S
Mass
448.45
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
-
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 Tricarboxylic acids and derivatives 1,3-dicarbonyl compounds Benzenoids Fatty amides Thiazolidines Tertiary carboxylic acid amides Azetidines Secondary carboxylic acid amides Carboxylic acid esters Lactones Oxacyclic compounds Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Penam - Fatty amide - Fatty acyl - 1,3-dicarbonyl compound - Benzenoid - Beta-lactam - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Secondary carboxylic acid amide - Azetidine - Azacycle - Carboxylic acid - Organoheterocyclic compound - Oxacycle - Dialkylthioether - Thioether - Hemithioaminal - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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