Compound Identification
SMILES
NC(=N)C1=CC=C(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)S1
InChIKey
InChIKey=PMBIVZOBUZMGRX-MAUKXSAKSA-N
Formula
C21H31N5O4S
Mass
449.57
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
Proline and derivatives Alpha amino acid amides Alpha amino acids Pyrrolidinecarboxamides N-acylpyrrolidines 2,5-disubstituted thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carboxylic acids Carboximidamides Carboxamidines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-dipeptide - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid - Alpha-amino acid or derivatives - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - 2,5-disubstituted thiophene - Pyrrolidine - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Amidine - Carboxylic acid amidine - Azacycle - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboximidamide - Secondary amine - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - 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