Compound Identification
SMILES
COC1=C(C)C2=C(CSCC(NC(=O)C(COC2=O)NC(=O)CS)C(O)=O)C(O)=C1
InChIKey
InChIKey=ULPYQNKHUNMSKT-UHFFFAOYSA-N
Formula
C18H22N2O8S2
Mass
458.5
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
N-acyl-alpha amino acids and derivatives Macrolactams Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Secondary carboxylic acid amides Lactones Lactams Carboxylic acid esters Oxacyclic compounds Alkylthiols Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Macrolactam - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Secondary carboxylic acid amide - Alkylthiol - Carboxylic acid - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Dialkylthioether - Thioether - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur 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