Structure Information
Structure

Compound Identification

SMILES

C[C@@H]([C@H](NC(=O)[C@H](CC[S+](C)[O-])NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)N\C=C1\C[C@@H](O)[C@@H](O1)n1ccc(=O)[nH]c1=O)N(C)C(=O)[C@@H](N)Cc1cccc(O)c1

InChIKey

InChIKey=PGJWAEOEBLIGSQ-APPOVVRKSA-N

Formula

C40H49N9O12S

Mass

879.94

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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 - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - N-carbamoyl-alpha-amino acid - N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - Indolyl carboxylic acid derivative - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 3-alkylindole - Indole - Indole or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrimidone - Aralkylamine - Hydropyrimidine - Fatty amide - N-acyl-amine - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Substituted pyrrole - Fatty acyl - Heteroaromatic compound - Tetrahydrofuran - Tertiary carboxylic acid amide - Vinylogous amide - Pyrrole - Lactam - Amino acid - Amino acid or derivatives - Carbonic acid derivative - Carboxamide group - Urea - Sulfoxide - Secondary carboxylic acid amide - Secondary alcohol - Sulfinyl compound - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Alcohol - Primary amine - Amine - 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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