Compound Identification
SMILES
CC1=CC=C(OC(=O)C(C(=O)NC2C3SC(C)(C)C(N3C2=O)C(O)=O)C2=CSC=C2)C=C1
InChIKey
InChIKey=DGNAUIYWRWICBR-UHFFFAOYSA-N
Formula
C22H22N2O6S2
Mass
474.55
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
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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 Phenol esters Phenoxy compounds Toluenes 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Thiophenes Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenol ester - Phenoxy compound - Penam - Toluene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Benzenoid - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazolidine - Thiophene - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Dialkylthioether - Azacycle - Organoheterocyclic compound - Hemithioaminal - Thioether - Carboxylic acid - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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