Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.CC1(C)S[C@@H]2[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N2[C@H]1C([O-])=O.CCOC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)C2=CC=CC=C2C=C1.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O

InChIKey

InChIKey=RHWGKUMGNOQCBA-XXQRSETKSA-L

Formula

C79H126N18Na2O45S5

Mass

2254.24

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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

Not available

Substituents

Alpha-dipeptide - Aminoglycoside core - Amino cyclitol glycoside - Penicillin - Valine or derivatives - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxamide - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Phenylacetamide - Naphthalene - Alpha-amino acid or derivatives - Penam - Amino saccharide - Thia fatty acid - Sulfuric acid - Cyclohexanol - Alkyl aryl ether - Fatty acyl - Benzenoid - Oxane - N-acyl-amine - Monosaccharide - Fatty amide - Monocyclic benzene moiety - Cyclitol or derivatives - N,s-acetal - Thiazolidine - Tetrahydrofuran - Tertiary carboxylic acid amide - Tertiary alcohol - Organic sulfuric acid or derivatives - Cyclic alcohol - Beta-lactam - Secondary carboxylic acid amide - Secondary alcohol - Lactam - Guanidine - Carboxylic acid salt - Carboxamide group - Azetidine - 1,2-aminoalcohol - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Hemithioaminal - Thioether - Secondary amine - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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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