Structure Information
Structure

Compound Identification

SMILES

C(CNCC1=CC=CC=C1)NCC1=CC=CC=C1.[H][C@]12SC(C)(C)[C@@]([H])(N1C(=O)[C@@]2([H])N=C(O)COC1=CC=CC=C1)C(O)=O.[H][C@]12SC(C)(C)[C@@]([H])(N1C(=O)[C@@]2([H])N=C(O)COC1=CC=CC=C1)C(O)=O

InChIKey

InChIKey=BBTOYUUSUQNIIY-ANPZCEIESA-N

Formula

C48H56N6O10S2

Mass

941.13

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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 - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Benzylamine - Phenylmethylamine - Penam - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Thiazolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azetidine - Azacycle - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Ether - Dialkylthioether - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Secondary amine - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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

CHEBI:31973 : benzathine(2+) salt

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