Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1=CC=CC2=CC=CC=C12)C(=O)NCC1=CN=C(N)S1

InChIKey

InChIKey=XRWKHCISZXGAKR-ZVSMTPAHSA-N

Formula

C28H37N5O4S

Mass

539.7

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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 heteropolycyclic compounds

Substituents

Alpha-dipeptide - Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - 2,5-disubstituted 1,3-thiazole - N-acyl-amine - Fatty amide - Benzenoid - Fatty acyl - 1,3-thiazol-2-amine - Carbamic acid ester - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen 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

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