Compound Identification
SMILES
CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)N1CC2(C[C@H]1C(O)=O)SCCCS2
InChIKey
InChIKey=PBHQTDJSGXDSGQ-IRXDYDNUSA-N
Formula
C21H34N2O5S2
Mass
458.63
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
N-acyl-L-alpha-amino acids Alpha amino acid amides Azaspirodecane derivatives Pyrrolidine carboxylic acids N-acylpyrrolidines Dithioketals Dithianes Tertiary carboxylic acid amides Carbamate esters Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Azaspirodecane - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Dithioketal - 1,3-dithiane - Thioacetal - Pyrrolidine - Tertiary carboxylic acid amide - Carbamic acid ester - Carboxamide group - Carboxylic acid - Azacycle - Organoheterocyclic compound - Dialkylthioether - Monocarboxylic acid or derivatives - Thioether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic 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