Compound Identification
SMILES
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)N[C@H](CC1=CC=C(Cl)C=C1)C(=O)N1CCN(CC1)[C@H]1CCCC[C@@H]1N1C=NC=N1
InChIKey
InChIKey=AGEBKAFXBYVNPQ-OKDNLZPVSA-N
Formula
C36H46ClN7O4
Mass
676.26
Taxonomic Classification
Taxonomy Tree
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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 Tetrahydroisoquinolines Amphetamines and derivatives N-alkylpiperazines Chlorobenzenes Cyclohexylamines Aryl chlorides Triazoles Tertiary carboxylic acid amides Carbamate esters Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Tetrahydroisoquinoline - Halobenzene - N-alkylpiperazine - Chlorobenzene - Cyclohexylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperazine - 1,4-diazinane - Tertiary carboxylic acid amide - 1,2,4-triazole - Carbamic acid ester - Azole - Heteroaromatic compound - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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