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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Peptides
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Phenylalanine and derivatives Aspartic acid and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid esters Alpha amino acid amides Amphetamines and derivatives Fatty acid esters Dicarboxylic acids and derivatives N-acyl amines Methyl esters Organic sulfuric acids and derivatives Amino acids Primary carboxylic acid amides Carboxylic acid salts Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organic zwitterions
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