Structure Information
Structure

Compound Identification

SMILES

CC(=O)[C@H](CNC(=O)C1=CN(CCCNC(=O)[C@H](CS(O)(=O)=O)NC(=O)C2=CN=C(N\N=C\C3=CC=CC=C3S(O)(=O)=O)C=C2)C2=C(C=CC(CNC3=NC=CN3)=C2)C1=O)NS(=O)(=O)C1=C(C)C=C(C)C=C1C

InChIKey

InChIKey=XZLFSCKMZKUELO-MTONLUBFSA-N

Formula

C46H51N11O13S3

Mass

1062.16

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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

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Quinoline-3-carboxamide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Dihydroquinolone - Benzenesulfonamide - Dihydroquinoline - Quinoline - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nicotinamide - Pyridine carboxylic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridine - Imidolactam - Aminoimidazole - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Heteroaromatic compound - Imidazole - Vinylogous amide - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azole - Alkanesulfonic acid - Secondary carboxylic acid amide - Carboxamide group - Ketone - Secondary amine - Hydrazone - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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