Compound Identification
SMILES
CCOC1=C(C=CC(=O)NC2(CCNCC2)C(=O)NCCNC(=O)CC2=CC=CC3=CC=CC=C23)C=C(Br)C=C1
InChIKey
InChIKey=VBICIKJTGZVYDJ-UHFFFAOYSA-N
Formula
C31H35BrN4O4
Mass
607.549
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
Coumaric acids and derivatives Cinnamic acid amides Naphthalenes Piperidinecarboxamides Styrenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Aryl bromides Secondary carboxylic acid amides Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Coumaric acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid amide - Naphthalene - Piperidinecarboxamide - Phenoxy compound - Phenol ether - Styrene - Alkyl aryl ether - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Piperidine - Aryl bromide - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Ether - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen 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