Compound Identification
SMILES
CC(=O)N[C@@H](C(=O)N1CCCC1C1=NC=C(C1)C1=CC2=C(S1)C=C(S2)C1=CC=C(C=C1)C1=CN=C(N1)[C@@H]1CCCN1C(=O)[C@H](NC(=O)CO)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=BYQFBFYFYYTBQW-HLLRIUJESA-N
Formula
C47H45N7O5S2
Mass
852.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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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 Phenylimidazoles Phenylacetamides Thienothiophenes 2,3,5-trisubstituted thiophenes N-acylpyrrolidines Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - 4-phenylimidazole - 5-phenylimidazole - Phenylacetamide - Thienothiophene - 2,3,5-trisubstituted thiophene - N-acylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Azole - Pyrrolidine - Tertiary carboxylic acid amide - Thiophene - Acetamide - Imidazole - Heteroaromatic compound - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Ketimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic nitrogen compound - Imine - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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