Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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