Compound Identification
SMILES
COC(=O)[C@@]1(CC2=CC=CC=C2)[C@@H]2[C@H](CN1C(=O)C1=CC=CC=C1)CC1=C2C=C(N1CC1=CC=C(C=C1)S(C)(=O)=O)C(=O)N(C)C
InChIKey
InChIKey=FKZRKXCWRJZXBT-RZLLJLAESA-N
Formula
C36H37N3O6S
Mass
639.77
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
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Alpha amino acid esters Amphetamines and derivatives Benzamides Benzenesulfonyl compounds Benzoyl derivatives Pyrrolidine carboxylic acids Pyrrole carboxamides 2-heteroaryl carboxamides N-acylpyrrolidines Fatty acid esters Substituted pyrroles Heteroaromatic compounds Tertiary carboxylic acid amides Sulfones Methyl esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Alpha-amino acid ester - Amphetamine or derivatives - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - N-acylpyrrolidine - Benzoyl - 2-heteroaryl carboxamide - Fatty acid ester - Benzenoid - Fatty acyl - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Pyrrole - Pyrrolidine - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available