Compound Identification
SMILES
CCOC(=O)C1=C(C)C=C(NC(=O)CN2C(=O)N[C@](C)(C2=O)C2=CC=C(C=C2)C#N)S1
InChIKey
InChIKey=IFNGWZAVLDRAAR-NRFANRHFSA-N
Formula
C21H20N4O5S
Mass
440.47
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
Phenylhydantoins Phenylimidazolidines Alpha amino acids and derivatives Thiophene carboxylic acids and derivatives N-arylamides Benzonitriles 2,3,5-trisubstituted thiophenes N-acyl ureas Heteroaromatic compounds Dicarboximides Secondary carboxylic acid amides Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-dipeptide - 5-phenylhydantoin - Phenylimidazolidine - Hydantoin - Alpha-amino acid or derivatives - 2,3,5-trisubstituted thiophene - N-arylamide - Thiophene carboxylic acid or derivatives - Benzonitrile - Ureide - N-acyl urea - Benzenoid - Imidazolidinone - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Imidazolidine - Dicarboximide - Urea - Secondary carboxylic acid amide - Carbonic acid derivative - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic 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