Compound Identification
SMILES
COC(=O)[C@@]1(CC2=CC=C(OC)C=C2)[C@@H]2[C@H](CN1C(=O)C1=CC=CC=C1)CC1=C2C=C(N1CCC1=CC(Br)=C(OC)C=C1)C(=O)N(C)C
InChIKey
InChIKey=LARSRNLZBNNPEQ-ITNKIYFISA-N
Formula
C38H40BrN3O6
Mass
714.657
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 Benzoyl derivatives Anisoles Methoxybenzenes N-acylpyrrolidines Pyrrolidine carboxylic acids 2-heteroaryl carboxamides Phenoxy compounds Pyrrole carboxamides Bromobenzenes Alkyl aryl ethers Fatty acid esters Substituted pyrroles Aryl bromides Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Alpha-amino acid ester - Amphetamine or derivatives - Benzoic acid or derivatives - Benzamide - Pyrrole-2-carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Benzoyl - Anisole - N-acylpyrrolidine - Phenoxy compound - Methoxybenzene - Phenol ether - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Bromobenzene - Fatty acid ester - Alkyl aryl ether - Halobenzene - Substituted pyrrole - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Aryl halide - Aryl bromide - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Carboxylic acid ester - Carboxamide group - Ether - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available