Compound Identification
SMILES
Brc1ccc(C[C@H](NC(=O)c2cc(cs2)-c2cccnc2)C(=O)N2CC[C@H]3OCC(=O)[C@@H]23)cc1
InChIKey
InChIKey=IRAGEELUNSFLMM-XKCSPQBFSA-N
Formula
C25H22BrN3O4S
Mass
540.43
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 Amino acids and derivatives
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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
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides Amphetamines and derivatives Thiophene carboxamides 2-heteroaryl carboxamides N-acylpyrrolidines Furopyrroles Bromobenzenes Pyridines and derivatives Aryl bromides Furanones Tertiary carboxylic acid amides Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Ketones Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - 2-heteroaryl carboxamide - N-acylpyrrolidine - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Furopyrrole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - 3-furanone - Pyridine - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Pyrrolidine - Oxolane - Secondary carboxylic acid amide - Carboxamide group - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen 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