Structure Information
Structure

Compound Identification

SMILES

CSCC[C@H](NC(=O)N[C@H](Cc1cccc(O)c1)C(O)=O)C(=O)N[C@@H]([C@H](C)N(C)C(=O)[C@H]1Cc2cc(O)ccc2CN1)C(=O)N\C=C1\C[C@@H](O)[C@H](O1)n1ccc(=O)[nH]c1=O

InChIKey

InChIKey=XWORGFMCZJWEQG-VSECBKNWSA-N

Formula

C39H48N8O12S

Mass

852.92

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