Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=O)[NH2+]S(=O)(=O)O1.COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC([O-])=O

InChIKey

InChIKey=KVHQNWGLVVERFR-ACMTZBLWSA-N

Formula

C18H23N3O9S

Mass

457.45

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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

Not available

Direct Parent

Peptides

Alternative Parents

Molecular Framework

Not available

Substituents

Alpha peptide - Phenylalanine or derivatives - Aspartic acid or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Amphetamine or derivatives - Fatty acid ester - Fatty acyl - Fatty amide - Benzenoid - N-acyl-amine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Methyl ester - Organic sulfuric acid or derivatives - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Secondary carboxylic acid amide - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid - Organic nitrogen compound - Amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Primary aliphatic amine - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

External Descriptors

Not available

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